ChemSpider 2D Image | Methyl 1-[(3S,5S)-5-{[2-(3-chlorophenyl)ethyl]carbamoyl}-1-(2-ethylbutyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylate | C23H32ClN5O3

Methyl 1-[(3S,5S)-5-{[2-(3-chlorophenyl)ethyl]carbamoyl}-1-(2-ethylbutyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC23H32ClN5O3
  • Average mass461.985 Da
  • Monoisotopic mass461.219360 Da
  • ChemSpider ID22863411

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3S,5S)-5-{[2-(3-Chlorophényl)éthyl]carbamoyl}-1-(2-éthylbutyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(3S,5S)-5-[[[2-(3-chlorophenyl)ethyl]amino]carbonyl]-1-(2-ethylbutyl)-3-pyrrolidinyl]-, methyl ester [ACD/Index Name]
Methyl 1-[(3S,5S)-5-{[2-(3-chlorophenyl)ethyl]carbamoyl}-1-(2-ethylbutyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-[(3S,5S)-5-{[2-(3-chlorphenyl)ethyl]carbamoyl}-1-(2-ethylbutyl)-3-pyrrolidinyl]-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
methyl 1-[(3S,5S)-5-({[2-(3-chlorophenyl)ethyl]amino}carbonyl)-1-(2-ethylbutyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylate

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: 1.611
Molar Refractivity: 125.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 17.69
ACD/KOC (pH 5.5): 124.47
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 233.57
ACD/KOC (pH 7.4): 1643.50
Polar Surface Area: 89 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 360.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement