ChemSpider 2D Image | PF-3882845 | C24H22ClN3O2

PF-3882845

  • Molecular FormulaC24H22ClN3O2
  • Average mass419.903 Da
  • Monoisotopic mass419.140045 Da
  • ChemSpider ID25053860

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,3aR)-2-(3-Chlor-4-cyanphenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-7-carbonsäure [German] [ACD/IUPAC Name]
(3S,3aR)-2-(3-Chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid [ACD/IUPAC Name]
1023650-66-9 [RN]
2H-Benz[g]indazole-7-carboxylic acid, 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-, (3S,3aR)- [ACD/Index Name]
Acide (3S,3aR)-2-(3-chloro-4-cyanophényl)-3-cyclopentyl-3,3a,4,5-tétrahydro-2H-benzo[g]indazole-7-carboxylique [French] [ACD/IUPAC Name]
MFCD28124394
PF-03882845
PF-3882845
(3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydrobenzo[g]indazole-7-carboxylic acid
compound 2 [PMID: 24738581]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.6±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 404.99
ACD/KOC (pH 5.5): 1115.13
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 10.67
ACD/KOC (pH 7.4): 29.39
Polar Surface Area: 77 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 292.3±7.0 cm3

Click to predict properties on the Chemicalize site


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