ChemSpider 2D Image | (4aR,4bS,6aS,7S,9aS,9bS,11aS)-N-Isopropyl-N-(isopropylcarbamoyl)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide | C27H45N3O3

(4aR,4bS,6aS,7S,9aS,9bS,11aS)-N-Isopropyl-N-(isopropylcarbamoyl)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

  • Molecular FormulaC27H45N3O3
  • Average mass459.664 Da
  • Monoisotopic mass459.346100 Da
  • ChemSpider ID128921852

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aR,4bS,6aS,7S,9aS,9bS,11aS)-N-Isopropyl-N-(isopropylcarbamoyl)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]chinolin-7-carboxamid [German] [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS,11aS)-N-Isopropyl-N-(isopropylcarbamoyl)-1,4a,6a-triméthyl-2-oxohexadécahydro-1H-indéno[5,4-f]quinoléine-7-carboxamide [French] [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS,11aS)-N-Isopropyl-N-(isopropylcarbamoyl)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide [ACD/IUPAC Name]
1H-Indeno[5,4-f]quinoline-7-carboxamide, hexadecahydro-1,4a,6a-trimethyl-N-(1-methylethyl)-N-[[(1-methylethyl)amino]carbonyl]-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aS)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.522
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 781.55
ACD/KOC (pH 5.5): 4096.17
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 781.52
ACD/KOC (pH 7.4): 4096.00
Polar Surface Area: 70 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 425.9±3.0 cm3

Click to predict properties on the Chemicalize site


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