Found 1 result

Search term: KQOKFDLIIQSPMA-SANMLTNESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide | C28H23ClF2N4O

(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide

  • Molecular FormulaC28H23ClF2N4O
  • Average mass504.958 Da
  • Monoisotopic mass504.152832 Da
  • ChemSpider ID61711239

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide [ACD/IUPAC Name]
(2S)-2-[2-(4-Chlorophényl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophényl)-2-cyclohexylacétamide [French] [ACD/IUPAC Name]
(2S)-2-[2-(4-Chlorphenyl)-5,6-difluor-1H-benzimidazol-1-yl]-N-(2-cyanphenyl)-2-cyclohexylacetamid [German] [ACD/IUPAC Name]
1H-Benzimidazole-1-acetamide, 2-(4-chlorophenyl)-N-(2-cyanophenyl)-α-cyclohexyl-5,6-difluoro-, (αS)- [ACD/Index Name]
9LJ

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 136.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 72837.53
ACD/KOC (pH 5.5): 105191.64
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 72879.61
ACD/KOC (pH 7.4): 105252.41
Polar Surface Area: 71 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 369.6±7.0 cm3

Click to predict properties on the Chemicalize site


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