ChemSpider 2D Image | N-(2-{(4-Bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide | C25H29BrN6O2S

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

  • Molecular FormulaC25H29BrN6O2S
  • Average mass557.506 Da
  • Monoisotopic mass556.125610 Da
  • ChemSpider ID26325495

More details:

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

1H-Imidazole-4-sulfonamide, N-[2-[(4-bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl]-1-methyl-N-[(2-methylphenyl)methyl]- [ACD/Index Name]
N-(2-{(4-Bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide [ACD/IUPAC Name]
N-(2-{(4-Bromophényl)[(1-méthyl-1H-imidazol-5-yl)méthyl]amino}éthyl)-1-méthyl-N-(2-méthylbenzyl)-1H-imidazole-4-sulfonamide [French] [ACD/IUPAC Name]
N-(2-{(4-Bromphenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-N-(2-methylbenzyl)-1H-imidazol-4-sulfonamid [German] [ACD/IUPAC Name]
3FY

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

Density: 1.4±0.1 g/cm3
Boiling Point: 792.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.0±35.7 °C
Index of Refraction: 1.645
Molar Refractivity: 146.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 47.94
ACD/KOC (pH 5.5): 257.64
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 604.70
ACD/KOC (pH 7.4): 3250.08
Polar Surface Area: 85 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 403.3±7.0 cm3

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