ChemSpider 2D Image | N-{(2S,3R)-4-[(2,6-Dimethyl-2-heptanyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-ethyl-1-[2-(methylsulfonyl)ethyl]-1H-indole-5-carboxamide | C33H49N3O4S

N-{(2S,3R)-4-[(2,6-Dimethyl-2-heptanyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-ethyl-1-[2-(methylsulfonyl)ethyl]-1H-indole-5-carboxamide

  • Molecular FormulaC33H49N3O4S
  • Average mass583.825 Da
  • Monoisotopic mass583.344360 Da
  • ChemSpider ID25068392

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-5-carboxamide, 3-ethyl-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[(1,1,5-trimethylhexyl)amino]propyl]-1-[2-(methylsulfonyl)ethyl]- [ACD/Index Name]
N-{(2S,3R)-4-[(2,6-Dimethyl-2-heptanyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-ethyl-1-[2-(methylsulfonyl)ethyl]-1H-indol-5-carboxamid [German] [ACD/IUPAC Name]
N-{(2S,3R)-4-[(2,6-Dimethyl-2-heptanyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-3-ethyl-1-[2-(methylsulfonyl)ethyl]-1H-indole-5-carboxamide [ACD/IUPAC Name]
N-{(2S,3R)-4-[(2,6-Diméthyl-2-heptanyl)amino]-3-hydroxy-1-phényl-2-butanyl}-3-éthyl-1-[2-(méthylsulfonyl)éthyl]-1H-indole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 809.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.4±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 167.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 8.79
ACD/KOC (pH 5.5): 22.25
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 67.89
ACD/KOC (pH 7.4): 171.89
Polar Surface Area: 109 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 512.6±7.0 cm3

Click to predict properties on the Chemicalize site


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