ChemSpider 2D Image | 5-Amino-1-{[3,5-dichloro-4-{[4-chloro(~2~H_4_)phenyl]carbonyl}(~2~H_2_)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide | C17H6D6Cl3N5O2

5-Amino-1-{[3,5-dichloro-4-{[4-chloro(2H4)phenyl]carbonyl}(2H2)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC17H6D6Cl3N5O2
  • Average mass430.706 Da
  • Monoisotopic mass429.043304 Da
  • ChemSpider ID128918414

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-[[3,5-dichloro-4-[(4-chlorophenyl-2,3,5,6-d4)carbonyl]phenyl-2,6-d2]methyl]- [ACD/Index Name]
5-Amino-1-{[3,5-dichlor-4-{[4-chlor(2H4)phenyl]carbonyl}(2H2)phenyl]methyl}-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-1-{[3,5-dichloro-4-{[4-chloro(2H4)phenyl]carbonyl}(2H2)phenyl]methyl}-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-1-{[3,5-dichloro-4-{[4-chloro(2H4)phényl]carbonyl}(2H2)phényl]méthyl}-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 685.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.4±34.3 °C
Index of Refraction: 1.731
Molar Refractivity: 102.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.40
ACD/KOC (pH 5.5): 456.05
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.40
ACD/KOC (pH 7.4): 456.05
Polar Surface Area: 117 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 256.9±7.0 cm3

Click to predict properties on the Chemicalize site


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