ChemSpider 2D Image | N-Benzyl-1-{[(2S,4S)-4-fluoro-1-(5-pyrimidinylcarbonyl)-2-pyrrolidinyl]methyl}-1H-1,2,3-triazole-4-carboxamide | C20H20FN7O2

N-Benzyl-1-{[(2S,4S)-4-fluoro-1-(5-pyrimidinylcarbonyl)-2-pyrrolidinyl]methyl}-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC20H20FN7O2
  • Average mass409.417 Da
  • Monoisotopic mass409.166260 Da
  • ChemSpider ID71295596

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-1,2,3-Triazole-4-carboxamide, 1-[[(2S,4S)-4-fluoro-1-(5-pyrimidinylcarbonyl)-2-pyrrolidinyl]methyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-1-{[(2S,4S)-4-fluor-1-(5-pyrimidinylcarbonyl)-2-pyrrolidinyl]methyl}-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
N-Benzyl-1-{[(2S,4S)-4-fluoro-1-(5-pyrimidinylcarbonyl)-2-pyrrolidinyl]methyl}-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
N-Benzyl-1-{[(2S,4S)-4-fluoro-1-(5-pyrimidinylcarbonyl)-2-pyrrolidinyl]méthyl}-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
N-benzyl-1-[[(2S,4S)-4-fluoro-1-(pyrimidine-5-carbonyl)pyrrolidin-2-yl]methyl]triazole-4-carboxamide

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: 1.700
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.34
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.34
Polar Surface Area: 106 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 282.9±7.0 cm3

Click to predict properties on the Chemicalize site


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