Found 29 results

Search term: MF = 'C_{30}H_{47}N_{3}O_{6}S'
ChemSpider 2D Image | (3S,4R)-4-Methyl-1,1-dioxidotetrahydro-3-thiophenyl {(2S,3R)-3-hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}carbamate | C30H47N3O6S

(3S,4R)-4-Methyl-1,1-dioxidotetrahydro-3-thiophenyl {(2S,3R)-3-hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC30H47N3O6S
  • Average mass577.776 Da
  • Monoisotopic mass577.318542 Da
  • ChemSpider ID401082

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,4R)-4-Methyl-1,1-dioxidotetrahydro-3-thiophenyl {(2S,3R)-3-hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinolinyl]-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3S,4R)-4-Methyl-1,1-dioxidotetrahydro-3-thiophenyl-{(2S,3R)-3-hydroxy-4-[(3S,4aS,8aS)-3-[(2-methyl-2-propanyl)carbamoyl]octahydro-2(1H)-isochinolinyl]-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-3-Hydroxy-4-[(3S,4aS,8aS)-3-[(2-méthyl-2-propanyl)carbamoyl]octahydro-2(1H)-isoquinoléinyl]-1-phényl-2-butanyl}carbamate de (3S,4R)-4-méthyl-1,1-dioxydotétrahydro-3-thiophényle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S,4R)-tetrahydro-4-methyl-1,1-dioxido-3-thienyl est er [ACD/Index Name]
(3S,4R)-4-methyl-1,1-dioxidotetrahydrothiophen-3-yl {(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid (3S,4R)-4-methyl-1,1-dioxo-tetrahydro-1λ*6*-thiophen-3-yl ester
carbamic acid, N-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, (3S,4R)-tetrahydro-4-methyl-1,1-dioxido-3-thienyl ester
IsoquinCON thienyl urethane analog
N-tert-Butyldecahydro-2-[2(R)-hydroxy-4-phenyl-3(S)-[[[[4(R)-methyl-(3S)-1,1-dioxotetrahydrothiophene]carbonyl]amino]butyl]-(4aS,8aS)-isoquinoline-3(S)-carboxamide

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS006121 [DBID]
AIDS-006121 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 808.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 442.5±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 108.82
ACD/KOC (pH 5.5): 698.54
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 371.09
ACD/KOC (pH 7.4): 2382.06
Polar Surface Area: 133 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 466.3±5.0 cm3

Click to predict properties on the Chemicalize site


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