ChemSpider 2D Image | Methyl 1-[(3S,5S)-5-{[2-(3-chlorophenyl)ethyl]carbamoyl}-1-(3-fluorobenzyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylate | C24H25ClFN5O3

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

  • Molecular FormulaC24H25ClFN5O3
  • Average mass485.938 Da
  • Monoisotopic mass485.162994 Da
  • ChemSpider ID22859193

  • 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-(3-fluorobenzyl)-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-[(3-fluorophenyl)methyl]-3-pyrrolidinyl]-, methyl ester [ACD/Index Name]
Methyl 1-[(3S,5S)-5-{[2-(3-chlorophenyl)ethyl]carbamoyl}-1-(3-fluorobenzyl)-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-[(3S,5S)-5-{[2-(3-chlorphenyl)ethyl]carbamoyl}-1-(3-fluorbenzyl)-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-(3-fluorobenzyl)-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 58.70
ACD/KOC (pH 5.5): 494.10
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 144.77
ACD/KOC (pH 7.4): 1218.69
Polar Surface Area: 89 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 352.6±7.0 cm3

Click to predict properties on the Chemicalize site


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