Found 7 results

Search term: WYWUKAZFKPOTPP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {(3aR,4R,9bR)-8-Chloro-4-[(1R)-3-cyclohexen-1-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl}(phenyl)methanone | C25H24ClNO

{(3aR,4R,9bR)-8-Chloro-4-[(1R)-3-cyclohexen-1-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl}(phenyl)methanone

  • Molecular FormulaC25H24ClNO
  • Average mass389.917 Da
  • Monoisotopic mass389.154633 Da
  • ChemSpider ID62383292

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(3aR,4R,9bR)-8-Chlor-4-[(1R)-3-cyclohexen-1-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]chinolin-6-yl}(phenyl)methanon [German] [ACD/IUPAC Name]
{(3aR,4R,9bR)-8-Chloro-4-[(1R)-3-cyclohexén-1-yl]-3a,4,5,9b-tétrahydro-3H-cyclopenta[c]quinoléin-6-yl}(phényl)méthanone [French] [ACD/IUPAC Name]
{(3aR,4R,9bR)-8-Chloro-4-[(1R)-3-cyclohexen-1-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl}(phenyl)methanone [ACD/IUPAC Name]
Methanone, [(3aR,4R,9bR)-8-chloro-4-[(1R)-3-cyclohexen-1-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]phenyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.3±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.03
ACD/LogD (pH 5.5): 6.84
ACD/BCF (pH 5.5): 92764.94
ACD/KOC (pH 5.5): 125032.66
ACD/LogD (pH 7.4): 6.84
ACD/BCF (pH 7.4): 92920.39
ACD/KOC (pH 7.4): 125242.20
Polar Surface Area: 29 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 323.3±3.0 cm3

Click to predict properties on the Chemicalize site


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