ChemSpider 2D Image | Methyl 1-{(3R,5S)-5-{[2-(3-chlorophenyl)ethyl]carbamoyl}-1-[(6-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-1H-1,2,3-triazole-4-carboxylate | C24H27ClN6O3

Methyl 1-{(3R,5S)-5-{[2-(3-chlorophenyl)ethyl]carbamoyl}-1-[(6-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC24H27ClN6O3
  • Average mass482.963 Da
  • Monoisotopic mass482.183319 Da
  • ChemSpider ID22835678

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{(3R,5S)-5-{[2-(3-Chlorophényl)éthyl]carbamoyl}-1-[(6-méthyl-2-pyridinyl)méthyl]-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-(3-chlorophenyl)ethyl]amino]carbonyl]-1-[(6-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl]-, methyl ester [ACD/Index Name]
Methyl 1-{(3R,5S)-5-{[2-(3-chlorophenyl)ethyl]carbamoyl}-1-[(6-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-{(3R,5S)-5-{[2-(3-chlorphenyl)ethyl]carbamoyl}-1-[(6-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
methyl 1-{(3R,5S)-5-({[2-(3-chlorophenyl)ethyl]amino}carbonyl)-1-[(6-methyl-2-pyridinyl)methyl]-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: 1.659
Molar Refractivity: 130.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 12.25
ACD/KOC (pH 5.5): 148.52
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.71
ACD/KOC (pH 7.4): 481.39
Polar Surface Area: 102 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 353.5±7.0 cm3

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