ChemSpider 2D Image | 4-({(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid | C28H23ClF3N3O3

4-({(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid

  • Molecular FormulaC28H23ClF3N3O3
  • Average mass541.949 Da
  • Monoisotopic mass541.138000 Da
  • ChemSpider ID26328386
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-({(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid [ACD/IUPAC Name]
4-({(2S)-2-[2-(4-Chlorphenyl)-5,6-difluor-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorbenzoesäure [German] [ACD/IUPAC Name]
Acide 4-({(2S)-2-[2-(4-chlorophényl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacétyl}amino)-3-fluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl]amino]-3-fluoro- [ACD/Index Name]
OMM

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 135.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 2012.35
ACD/KOC (pH 5.5): 2648.28
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 96.47
ACD/KOC (pH 7.4): 126.96
Polar Surface Area: 84 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 370.1±7.0 cm3

Click to predict properties on the Chemicalize site






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