ChemSpider 2D Image | tert-butyl 6-(benzyloxy)-1-{[2-(dipropan-2-ylamino)ethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate | C30H43N3O4

tert-butyl 6-(benzyloxy)-1-{[2-(dipropan-2-ylamino)ethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • Molecular FormulaC30H43N3O4
  • Average mass509.680 Da
  • Monoisotopic mass509.325348 Da
  • ChemSpider ID8046656

More details:

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

2(1H)-Isoquinolinecarboxylic acid, 1-[[[2-[bis(1-methylethyl)amino]ethyl]amino]carbonyl]-3,4-dihydro-6-(phenylmethoxy)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-(benzyloxy)-1-{[2-(diisopropylamino)ethyl]carbamoyl}-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-(benzyloxy)-1-{[2-(diisopropylamino)ethyl]carbamoyl}-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
6-(Benzyloxy)-1-{[2-(diisopropylamino)éthyl]carbamoyl}-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 6-(benzyloxy)-1-{[2-(dipropan-2-ylamino)ethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
6-Benzyloxy-1-(2-diisopropylamino-ethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 659.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.5±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 13.21
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 26.61
ACD/KOC (pH 7.4): 82.20
Polar Surface Area: 71 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 462.8±3.0 cm3

Click to predict properties on the Chemicalize site


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