ChemSpider 2D Image | 4-({(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid | C28H22ClF4N3O3

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

  • Molecular FormulaC28H22ClF4N3O3
  • Average mass559.939 Da
  • Monoisotopic mass559.128601 Da
  • ChemSpider ID26328398

  • 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)-3,5-difluorobenzoic acid [ACD/IUPAC Name]
4-({(2S)-2-[2-(4-Chlorphenyl)-5,6-difluor-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorbenzoesäure [German] [ACD/IUPAC Name]
Acide 4-({(2S)-2-[2-(4-chlorophényl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacétyl}amino)-3,5-difluorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl]amino]-3,5-difluoro- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.41
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 1357.09
ACD/KOC (pH 5.5): 1622.24
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 116.32
ACD/KOC (pH 7.4): 139.05
Polar Surface Area: 84 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 373.0±7.0 cm3

Click to predict properties on the Chemicalize site


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