Found 1 result

Search term: SEHWHKGFYAXJEE-RLSLOFABSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | trans-4-({(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate | C27H30ClF2N3O5S

trans-4-({(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate

  • Molecular FormulaC27H30ClF2N3O5S
  • Average mass582.059 Da
  • Monoisotopic mass581.156250 Da
  • ChemSpider ID61711238

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Benzimidazole-1-acetamide, 2-(4-chlorophenyl)-α-cyclohexyl-5,6-difluoro-N-[trans-4-(sulfooxy)cyclohexyl]-, (αS)- [ACD/Index Name]
Hydrogénosulfate de trans-4-({(2S)-2-[2-(4-chlorophényl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacétyl}amino)cyclohexyle [French] [ACD/IUPAC Name]
trans-4-({(2S)-2-[2-(4-Chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate [ACD/IUPAC Name]
trans-4-({(2S)-2-[2-(4-Chlorphenyl)-5,6-difluor-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexylhydrogensulfat [German] [ACD/IUPAC Name]
9LP

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: 1.666
Molar Refractivity: 141.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.51
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 119 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 380.6±7.0 cm3

Click to predict properties on the Chemicalize site


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