ChemSpider 2D Image | (4aR,4bS,6aS,7S,9aS,9bS)-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 | C27H33F3N2O2

(4aR,4bS,6aS,7S,9aS,9bS)-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

  • Molecular FormulaC27H33F3N2O2
  • Average mass474.558 Da
  • Monoisotopic mass474.249420 Da
  • ChemSpider ID26232144
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(4aR,4bS,6aS,7S,9aS,9bS)-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,9bS)-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,9bS)-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]
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,9bS)- [ACD/Index Name]
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-Trimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
[188589-61-9]
188589-61-9 [RN]
TFM-4AS-1
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Androgen Receptor Tocris Bioscience 3813
      Nuclear Receptors Tocris Bioscience 3813
      Potent selective androgen receptor modulator (SARM) (IC50 = 30 nM). Steroidal compound. Exhibits limited effects on reproductive tissues and sebaceous glands; does not repress AP-1-sensitive MMP-1 rep orter. Inhibits 5?-reductase type I and II (IC50 values are 2 and 3 nM respectively). Tocris Bioscience 3813
      Potent selective androgen receptor modulator (SARM) (IC50 = 30 nM). Steroidal compound. Exhibits limited effects on reproductive tissues and sebaceous glands; does not repress AP-1-sensitive MMP-1 reporter. Inhibits 5?-reductase type I and II (IC50 values are 2 and 3 nM respectively). Tocris Bioscience 3813
      Potent selective androgen receptor modulator (SARM) (IC50 = 30 nM). Steroidal compound. Exhibits limited effects on reproductive tissues and sebaceous glands; does not repress AP-1-sensitive MMP-1 reporter. Inhibits 5alpha-reductase type I and II (IC50 values are 2 and 3 nM respectively). Tocris Bioscience 3813
      Selective androgen receptor modulator (SARM) Tocris Bioscience 3813

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

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

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