ChemSpider 2D Image | 1-(2-Chlorobenzyl)-N-[2-(4-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-1H-1,2,3-triazole-4-carboxamide | C22H23ClFN5O

1-(2-Chlorobenzyl)-N-[2-(4-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC22H23ClFN5O
  • Average mass427.902 Da
  • Monoisotopic mass427.157501 Da
  • ChemSpider ID22243920

More details:

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

1-(2-Chlorbenzyl)-N-[2-(4-fluorphenyl)-2-(1-pyrrolidinyl)ethyl]-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1-(2-Chlorobenzyl)-N-[2-(4-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-(2-Chlorobenzyl)-N-[2-(4-fluorophényl)-2-(1-pyrrolidinyl)éthyl]-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 1-[(2-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.14
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 10.60
ACD/KOC (pH 7.4): 96.22
Polar Surface Area: 63 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 317.7±7.0 cm3

Click to predict properties on the Chemicalize site


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