ChemSpider 2D Image | (4aS,4bR,6aR,7R,9aR,9bR,11aS)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide | C23H36N2O2

(4aS,4bR,6aR,7R,9aR,9bR,11aS)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

  • Molecular FormulaC23H36N2O2
  • Average mass372.544 Da
  • Monoisotopic mass372.277679 Da
  • ChemSpider ID68897389

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aS,4bR,6aR,7R,9aR,9bR,11aS)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]chinolin-7-carboxamid [German] [ACD/IUPAC Name]
(4aS,4bR,6aR,7R,9aR,9bR,11aS)-4a,6a-Diméthyl-N-(2-méthyl-2-propanyl)-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tétradécahydro-1H-indéno[5,4-f]quinoléine-7-carboxamide [French] [ACD/IUPAC Name]
(4aS,4bR,6aR,7R,9aR,9bR,11aS)-4a,6a-Dimethyl-N-(2-methyl-2-propanyl)-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide [ACD/IUPAC Name]
1H-Indeno[5,4-f]quinoline-7-carboxamide, N-(1,1-dimethylethyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aS,4bR,6aR,7R,9aR,9bR,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: 576.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 177.4±30.3 °C
Index of Refraction: 1.524
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 115.06
ACD/KOC (pH 5.5): 1039.47
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 115.06
ACD/KOC (pH 7.4): 1039.48
Polar Surface Area: 58 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 349.6±3.0 cm3

Click to predict properties on the Chemicalize site


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