ChemSpider 2D Image | Methyl 4-[({4-[(2,5-dichlorophenyl)carbamoyl]-5-methyl-1H-1,2,3-triazol-1-yl}acetyl)amino]benzoate | C20H17Cl2N5O4

Methyl 4-[({4-[(2,5-dichlorophenyl)carbamoyl]-5-methyl-1H-1,2,3-triazol-1-yl}acetyl)amino]benzoate

  • Molecular FormulaC20H17Cl2N5O4
  • Average mass462.286 Da
  • Monoisotopic mass461.065765 Da
  • ChemSpider ID27312875

More details:

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

4-[(2-{4-[(2,5-Dichlorophényl)carbamoyl]-5-méthyl-1H-1,2,3-triazol-1-yl}acétyl)amino]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[4-[[(2,5-dichlorophenyl)amino]carbonyl]-5-methyl-1H-1,2,3-triazol-1-yl]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-[({4-[(2,5-dichlorophenyl)carbamoyl]-5-methyl-1H-1,2,3-triazol-1-yl}acetyl)amino]benzoate [ACD/IUPAC Name]
Methyl-4-[({4-[(2,5-dichlorphenyl)carbamoyl]-5-methyl-1H-1,2,3-triazol-1-yl}acetyl)amino]benzoat [German] [ACD/IUPAC Name]
4-{2-[4-(2,5-Dichloro-phenylcarbamoyl)-5-methyl-[1,2,3]triazol-1-yl]-acetylamino}-benzoic acid methyl ester

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: 1.662
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.73
ACD/KOC (pH 5.5): 1861.53
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.46
ACD/KOC (pH 7.4): 1795.04
Polar Surface Area: 115 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 313.6±7.0 cm3

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