Found 1 result

Search term: 59053349 (Found by CSID)
ChemSpider 2D Image | AZ3451 | C30H27BrN4O3

AZ3451

  • Molecular FormulaC30H27BrN4O3
  • Average mass571.464 Da
  • Monoisotopic mass570.126648 Da
  • ChemSpider ID59053349

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole-5-carboxamide, 2-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)-1-[(1S)-1-cyclohexylethyl]- [ACD/Index Name]
2-(6-Brom-1,3-benzodioxol-5-yl)-N-(4-cyanphenyl)-1-[(1S)-1-cyclohexylethyl]-1H-benzimidazol-5-carboxamid [German] [ACD/IUPAC Name]
2-(6-Bromo-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)-1-[(1S)-1-cyclohexylethyl]-1H-benzimidazole-5-carboxamide [ACD/IUPAC Name]
2-(6-Bromo-1,3-benzodioxol-5-yl)-N-(4-cyanophényl)-1-[(1S)-1-cyclohexyléthyl]-1H-benzimidazole-5-carboxamide [French] [ACD/IUPAC Name]
2-(6-bromo-2H-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)-1-[(1S)-1-cyclohexylethyl]-1,3-benzodiazole-5-carboxamide
2-(6-bromo-2H-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)-1-[(1S)-1-cyclohexylethyl]-1H-1,3-benzodiazole-5-carboxamide
2100284-59-9 [RN]
AZ3451
2-(6-Bromanyl-1,3-Benzodioxol-5-Yl)-{n}-(4-Cyanophenyl)-1-[(1{s})-1-Cyclohexylethyl]benzimidazole-5-Carboxamide
2-(6-Bromo-1,3-benzodioxol-5-yl)-N-(4-cyanophenyl)-1-[(1S)-1-cyclohexylethyl]benzimidazole-5-carboxamide
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of benzimidazoles that is 1H-benzimidazole substituted by (1S)-1-cyclohexylethyl, 6-bromo-1,3-benzodioxol-5-yl, and 4-(cyanoanilino)acyl groups at positions 1, 2 and 5, respectiv ely. It is an allosteric modulator of protease-activated receptor 2 (IC50 = 23 nM) and exhibits anti-osteoarthritis properties. ChEBI CHEBI:189647

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: 1.704
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40527.87
ACD/KOC (pH 5.5): 68951.30
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40940.00
ACD/KOC (pH 7.4): 69652.47
Polar Surface Area: 89 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 382.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement