ChemSpider 2D Image | 1-{2-[(2-Bromophenyl)amino]-2-oxoethyl}-N-(2,5-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | C18H14BrCl2N5O2

1-{2-[(2-Bromophenyl)amino]-2-oxoethyl}-N-(2,5-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC18H14BrCl2N5O2
  • Average mass483.146 Da
  • Monoisotopic mass480.970795 Da
  • ChemSpider ID27312590

More details:

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

1-{2-[(2-Bromophenyl)amino]-2-oxoethyl}-N-(2,5-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-{2-[(2-Bromophényl)amino]-2-oxoéthyl}-N-(2,5-dichlorophényl)-5-méthyl-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1-{2-[(2-Bromphenyl)amino]-2-oxoethyl}-N-(2,5-dichlorphenyl)-5-methyl-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-1-acetamide, N-(2-bromophenyl)-4-[[(2,5-dichlorophenyl)amino]carbonyl]-5-methyl- [ACD/Index Name]
1-[(2-Bromo-phenylcarbamoyl)-methyl]-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid (2,5-dichloro-phenyl)-amide

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 419.78
ACD/KOC (pH 5.5): 2624.85
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 405.15
ACD/KOC (pH 7.4): 2533.37
Polar Surface Area: 89 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 291.2±7.0 cm3

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