ChemSpider 2D Image | 1-Cyclohexyl-2-(4-{[3-(2,6-dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1H-benzimidazole-6-carboxylic acid | C33H31Cl2N3O4

1-Cyclohexyl-2-(4-{[3-(2,6-dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1H-benzimidazole-6-carboxylic acid

  • Molecular FormulaC33H31Cl2N3O4
  • Average mass604.523 Da
  • Monoisotopic mass603.169189 Da
  • ChemSpider ID127440172

More details:

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

1-Cyclohexyl-2-(4-{[3-(2,6-dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1H-benzimidazole-6-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexyl-2-(4-{[3-(2,6-dichlorphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1H-benzimidazol-6-carbonsäure [German] [ACD/IUPAC Name]
1H-Benzimidazole-6-carboxylic acid, 1-cyclohexyl-2-[4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]- [ACD/Index Name]
Acide 1-cyclohexyl-2-(4-{[3-(2,6-dichlorophényl)-5-isopropyl-1,2-oxazol-4-yl]méthoxy}phényl)-1H-benzimidazole-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 782.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.2±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 162.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.21
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 18127.20
ACD/KOC (pH 5.5): 14589.22
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 772.52
ACD/KOC (pH 7.4): 621.74
Polar Surface Area: 90 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 436.4±7.0 cm3

Click to predict properties on the Chemicalize site


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