ChemSpider 2D Image | 1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-5-{[(1-hydroxy-2-iminoethyl)amino]methyl}-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide | C21H20Cl2N6O3

1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-5-{[(1-hydroxy-2-iminoethyl)amino]methyl}-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide

  • Molecular FormulaC21H20Cl2N6O3
  • Average mass475.328 Da
  • Monoisotopic mass474.097382 Da
  • ChemSpider ID95572414

More details:

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

1-[4-Chlor-2-(2-chlorbenzoyl)phenyl]-5-{[(1-hydroxy-2-iminoethyl)amino]methyl}-N,N-dimethyl-1H-1,2,4-triazol-3-carboxamid [German] [ACD/IUPAC Name]
1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-5-{[(1-hydroxy-2-iminoethyl)amino]methyl}-N,N-dimethyl-1H-1,2,4-triazole-3-carboxamide [ACD/IUPAC Name]
1-[4-Chloro-2-(2-chlorobenzoyl)phényl]-5-{[(1-hydroxy-2-iminoéthyl)amino]méthyl}-N,N-diméthyl-1H-1,2,4-triazole-3-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-carboxamide, 1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-[[(1-hydroxy-2-iminoethyl)amino]methyl]-N,N-dimethyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 692.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.4±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.12
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 5.36
ACD/KOC (pH 7.4): 69.89
Polar Surface Area: 124 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 326.0±7.0 cm3

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