ChemSpider 2D Image | N-(2-{(4-Cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}-2-methylpropyl)-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide | C28H33N7O2S

N-(2-{(4-Cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}-2-methylpropyl)-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide

  • Molecular FormulaC28H33N7O2S
  • Average mass531.672 Da
  • Monoisotopic mass531.241638 Da
  • ChemSpider ID23331230

More details:

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

1H-Imidazole-4-sulfonamide, N-[2-[(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]-2-methylpropyl]-1-methyl-N-[(2-methylphenyl)methyl]- [ACD/Index Name]
N-(2-{(4-Cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}-2-methylpropyl)-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide [ACD/IUPAC Name]
N-(2-{(4-Cyanophényl)[(1-méthyl-1H-imidazol-5-yl)méthyl]amino}-2-méthylpropyl)-1-méthyl-N-(2-méthylbenzyl)-1H-imidazole-4-sulfonamide [French] [ACD/IUPAC Name]
N-(2-{(4-Cyanphenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}-2-methylpropyl)-1-methyl-N-(2-methylbenzyl)-1H-imidazol-4-sulfonamid [German] [ACD/IUPAC Name]
[N-(2-Methylbenzyl)-N-{(4-cyanophenyl)(3-methyl-3H-imidazol-4-ylmethyl)amino}-2,2-dimethylethyl]-1-methyl-1H-imidazole-4-sulfonamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL453092/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 828.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.5±37.1 °C
Index of Refraction: 1.621
Molar Refractivity: 154.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 39.69
ACD/KOC (pH 5.5): 228.16
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 481.07
ACD/KOC (pH 7.4): 2765.45
Polar Surface Area: 108 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 439.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement