ChemSpider 2D Image | TFM-4AS-1 | C27H33F3N2O2

TFM-4AS-1

  • Molecular FormulaC27H33F3N2O2
  • Average mass474.558 Da
  • Monoisotopic mass474.249420 Da
  • ChemSpider ID49071875

  • 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,9bR,11aR)-1,4a,6a-Trimethyl-2-oxo-N-[2-(trifluormethyl)phenyl]-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]
(4aR,4bS,6aS,7S,9aS,9bR,11aR)-1,4a,6a-Triméthyl-2-oxo-N-[2-(trifluorométhyl)phényl]-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]
(4aR,4bS,6aS,7S,9aS,9bR,11aR)-1,4a,6a-Trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-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]
(4aR,6aS,7S,11aR)-1,4a,6a-Trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11atetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
188589-61-9 [RN]
1H-Indeno[5,4-f]quinoline-7-carboxamide, 2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4a,6a-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-, (4aR,4bS,6aS,7S,9aS,9bR,11aR)- [ACD/Index Name]
TFM-4AS-1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.4±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 123.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 840.52
ACD/KOC (pH 5.5): 4315.13
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 840.52
ACD/KOC (pH 7.4): 4315.13
Polar Surface Area: 49 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 387.1±3.0 cm3

Click to predict properties on the Chemicalize site


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