ChemSpider 2D Image | N,N'-Diisopropyl-N-{[(4bS,7S,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl]carbonyl}carbamimidic acid | C27H45N3O3

N,N'-Diisopropyl-N-{[(4bS,7S,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl]carbonyl}carbamimidic acid

  • Molecular FormulaC27H45N3O3
  • Average mass459.664 Da
  • Monoisotopic mass459.346100 Da
  • ChemSpider ID58816697

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

1H-Indeno[5,4-f]quinoline-7-carboxamide, hexadecahydro-N-[(Z)-hydroxy[(1-methylethyl)imino]methyl]-1,4a,6a-trimethyl-N-(1-methylethyl)-2-oxo-, (4bS,7S,9aS,9bS,11aR)- [ACD/Index Name]
Acide N,N'-diisopropyl-N-{[(4bS,7S,9aS,9bS,11aR)-1,4a,6a-triméthyl-2-oxohexadécahydro-1H-indéno[5,4-f]quinoléin-7-yl]carbonyl}carbamimidique [French] [ACD/IUPAC Name]
N,N'-Diisopropyl-N-{[(4bS,7S,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]chinolin-7-yl]carbonyl}carbamimidsäure [German] [ACD/IUPAC Name]
N,N'-Diisopropyl-N-{[(4bS,7S,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl]carbonyl}carbamimidic acid [ACD/IUPAC Name]
137099-09-3 [RN]
turosteride [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 308.5±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 289.16
ACD/KOC (pH 5.5): 1703.78
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 287.69
ACD/KOC (pH 7.4): 1695.13
Polar Surface Area: 73 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 375.6±7.0 cm3

Click to predict properties on the Chemicalize site


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