ChemSpider 2D Image | Methyl 1-[(3R,5S)-1-(2-fluorobenzyl)-5-{[2-(4-fluorophenyl)ethyl]carbamoyl}-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylate | C24H25F2N5O3

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

  • Molecular FormulaC24H25F2N5O3
  • Average mass469.484 Da
  • Monoisotopic mass469.192535 Da
  • ChemSpider ID23045370

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3R,5S)-1-(2-Fluorobenzyl)-5-{[2-(4-fluorophényl)éthyl]carbamoyl}-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(3R,5S)-5-[[[2-(4-fluorophenyl)ethyl]amino]carbonyl]-1-[(2-fluorophenyl)methyl]-3-pyrrolidinyl]-, methyl ester [ACD/Index Name]
Methyl 1-[(3R,5S)-1-(2-fluorobenzyl)-5-{[2-(4-fluorophenyl)ethyl]carbamoyl}-3-pyrrolidinyl]-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-[(3R,5S)-1-(2-fluorbenzyl)-5-{[2-(4-fluorphenyl)ethyl]carbamoyl}-3-pyrrolidinyl]-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
methyl 1-[(3R,5S)-1-(2-fluorobenzyl)-5-({[2-(4-fluorophenyl)ethyl]amino}carbonyl)-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: 1.627
Molar Refractivity: 122.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 51.53
ACD/KOC (pH 5.5): 484.59
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.73
ACD/KOC (pH 7.4): 928.48
Polar Surface Area: 89 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 346.2±7.0 cm3

Click to predict properties on the Chemicalize site


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