ChemSpider 2D Image | Ethyl 1-benzyl-5-{(E)-[(2,4-dichlorophenoxy)(isopropylamino)methylene]amino}-1H-1,2,3-triazole-4-carboxylate | C22H23Cl2N5O3

Ethyl 1-benzyl-5-{(E)-[(2,4-dichlorophenoxy)(isopropylamino)methylene]amino}-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC22H23Cl2N5O3
  • Average mass476.356 Da
  • Monoisotopic mass475.117798 Da
  • ChemSpider ID21126063

More details:

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

1-Benzyl-5-{(E)-[(2,4-dichlorophénoxy)(isopropylamino)méthylène]amino}-1H-1,2,3-triazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 5-[[(2,4-dichlorophenoxy)[(1-methylethyl)imino]methyl]amino]-1-(phenylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-benzyl-5-{(E)-[(2,4-dichlorophenoxy)(isopropylamino)methylene]amino}-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-benzyl-5-{(E)-[(2,4-dichlorphenoxy)(isopropylamino)methylen]amino}-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.2±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 124.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4334.61
ACD/KOC (pH 5.5): 13959.13
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4336.82
ACD/KOC (pH 7.4): 13966.24
Polar Surface Area: 91 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 356.8±7.0 cm3

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