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Search term: OLLRSJLKNAIFCJ-VWLOTQADSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid | C28H23Cl2F2N3O3

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

  • Molecular FormulaC28H23Cl2F2N3O3
  • Average mass558.403 Da
  • Monoisotopic mass557.108459 Da
  • ChemSpider ID26383488

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Chlor-4-({(2S)-2-[2-(4-chlorphenyl)-5,6-difluor-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoesäure [German] [ACD/IUPAC Name]
3-Chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 3-chloro-4-({(2S)-2-[2-(4-chlorophényl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacétyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-4-[[(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl]amino]- [ACD/Index Name]
9L4

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: 1.668
Molar Refractivity: 140.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 4667.02
ACD/KOC (pH 5.5): 4745.13
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 234.94
ACD/KOC (pH 7.4): 238.88
Polar Surface Area: 84 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 376.6±7.0 cm3

Click to predict properties on the Chemicalize site


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