ChemSpider 2D Image | (4aR,4bS,6aS,7S,9aS,9bS)-2-Hydroxy-4a,6a-dimethyl-N-(1,1,1-trifluoro-2-phenyl-2-propanyl)-4b,5,6,6a,7,8,9,9a,9b,10,11,11a-dodecahydro-4aH-indeno[5,4-f]quinoline-7-carboximidic acid | C28H35F3N2O2

(4aR,4bS,6aS,7S,9aS,9bS)-2-Hydroxy-4a,6a-dimethyl-N-(1,1,1-trifluoro-2-phenyl-2-propanyl)-4b,5,6,6a,7,8,9,9a,9b,10,11,11a-dodecahydro-4aH-indeno[5,4-f]quinoline-7-carboximidic acid

  • Molecular FormulaC28H35F3N2O2
  • Average mass488.585 Da
  • Monoisotopic mass488.265076 Da
  • ChemSpider ID58819333
  • defined stereocentres - 6 of 8 defined stereocentres


More details:






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

(4aR,4bS,6aS,7S,9aS,9bS)-2-Hydroxy-4a,6a-dimethyl-N-(1,1,1-trifluor-2-phenyl-2-propanyl)-4b,5,6,6a,7,8,9,9a,9b,10,11,11a-dodecahydro-4aH-indeno[5,4-f]chinolin-7-carboximidsäure [German] [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS)-2-Hydroxy-4a,6a-dimethyl-N-(1,1,1-trifluoro-2-phenyl-2-propanyl)-4b,5,6,6a,7,8,9,9a,9b,10,11,11a-dodecahydro-4aH-indeno[5,4-f]quinoline-7-carboximidic acid [ACD/IUPAC Name]
5H-Indeno[5,4-f]quinoline-7-carboximidic acid, 4a,4b,6,6a,7,8,9,9a,9b,10,11,11a-dodecahydro-2-hydroxy-4a,6a-dimethyl-N-(2,2,2-trifluoro-1-methyl-1-phenylethyl)-, (4aR,4bS,6aS,7S,9aS,9bS)- [ACD/Index Name]
Acide (4aR,4bS,6aS,7S,9aS,9bS)-2-hydroxy-4a,6a-diméthyl-N-(1,1,1-trifluoro-2-phényl-2-propanyl)-4b,5,6,6a,7,8,9,9a,9b,10,11,11a-dodécahydro-4aH-indéno[5,4-f]quinoléine-7-carboximidique [French] [ACD/IUPAC Name]
(22RS-N-1,1,1-TRIFLUORO-2-PHENYLPROP-2-YL)-3-OXO-4-AZA-5A-ANDROST-1-ENE-17β-CARBOXAMIDE
155651-56-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 573.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 300.6±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 1559.23
ACD/KOC (pH 5.5): 4205.43
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1104.54
ACD/KOC (pH 7.4): 2979.07
Polar Surface Area: 65 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 371.8±7.0 cm3

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