ChemSpider 2D Image | 1-{2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-N-(3,5-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide | C20H17Cl2N5O4

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

  • Molecular FormulaC20H17Cl2N5O4
  • Average mass462.286 Da
  • Monoisotopic mass461.065765 Da
  • ChemSpider ID27313369

More details:

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

1-{2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-N-(3,5-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-{2-[(1,3-Benzodioxol-5-ylméthyl)amino]-2-oxoéthyl}-N-(3,5-dichlorophényl)-5-méthyl-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1-{2-[(1,3-Benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-N-(3,5-dichlorphenyl)-5-methyl-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-1-acetamide, N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3,5-dichlorophenyl)amino]carbonyl]-5-methyl- [ACD/Index Name]
1-{[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methyl}-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid (3,5-dichloro-phenyl)-amide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.701
Molar Refractivity: 114.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.60
ACD/KOC (pH 5.5): 1230.20
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 142.96
ACD/KOC (pH 7.4): 1207.88
Polar Surface Area: 107 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 295.2±7.0 cm3

Click to predict properties on the Chemicalize site


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