ChemSpider 2D Image | 2-[({1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-3-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl}methyl)amino]-2-oxoethanaminium | C21H21Cl2N6O3

2-[({1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-3-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl}methyl)amino]-2-oxoethanaminium

  • Molecular FormulaC21H21Cl2N6O3
  • Average mass476.335 Da
  • Monoisotopic mass475.104675 Da
  • ChemSpider ID21258615

  • Charge - Charge

More details:

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

1H-1,2,4-Triazole-3-carboxamide, 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-, conjugate monoacid [ACD/Index Name]
2-[({1-[4-Chlor-2-(2-chlorbenzoyl)phenyl]-3-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl}methyl)amino]-2-oxoethanaminium [German] [ACD/IUPAC Name]
2-[({1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-3-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl}methyl)amino]-2-oxoethanaminium [ACD/IUPAC Name]
2-[({1-[4-Chloro-2-(2-chlorobenzoyl)phényl]-3-(diméthylcarbamoyl)-1H-1,2,4-triazol-5-yl}méthyl)amino]-2-oxoéthanaminium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.13
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.44
ACD/KOC (pH 7.4): 92.18
Polar Surface Area: 125 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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