ChemSpider 2D Image | BAY-60-5521 | C30H37F4NO

BAY-60-5521

  • Molecular FormulaC30H37F4NO
  • Average mass503.615 Da
  • Monoisotopic mass503.281128 Da
  • ChemSpider ID9866598

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-4-Cyclohexyl-2-cyclopentyl-3-{(S)-fluor[4-(trifluormethyl)phenyl]methyl}-7,7-dimethyl-5,6,7,8-tetrahydro-5-chinolinol [German] [ACD/IUPAC Name]
(5S)-4-Cyclohexyl-2-cyclopentyl-3-{(S)-fluoro[4-(trifluorométhyl)phényl]méthyl}-7,7-diméthyl-5,6,7,8-tétrahydro-5-quinoléinol [French] [ACD/IUPAC Name]
(5S)-4-Cyclohexyl-2-cyclopentyl-3-{(S)-fluoro[4-(trifluoromethyl)phenyl]methyl}-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinolinol [ACD/IUPAC Name]
5-Quinolinol, 4-cyclohexyl-2-cyclopentyl-3-[(S)-fluoro[4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-7,7-dimethyl-, (5S)- [ACD/Index Name]
893409-49-9 [RN]
BAY-60-5521
(5S)-4-cyclohexyl-2-cyclopentyl-3-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol
5-Quinolinol, 4-cyclohexyl-2-cyclopentyl-3-((S)-fluoro(4-(trifluoromethyl)phenyl)methyl)-5,6,7,8-tetrahydro-7,7-dimethyl-, (5S)-

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

I0J230BJOO [DBID]
UNII:I0J230BJOO [DBID]
UNII-I0J230BJOO [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 574.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 301.2±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.75
ACD/LogD (pH 5.5): 7.42
ACD/BCF (pH 5.5): 205772.08
ACD/KOC (pH 5.5): 171383.77
ACD/LogD (pH 7.4): 7.80
ACD/BCF (pH 7.4): 496319.34
ACD/KOC (pH 7.4): 413375.22
Polar Surface Area: 33 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 428.7±3.0 cm3

Click to predict properties on the Chemicalize site


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