ChemSpider 2D Image | N-Benzyl-1-{[(2S)-4,4-difluoro-1-(1,3-oxazol-5-ylcarbonyl)-2-pyrrolidinyl]methyl}-1H-1,2,3-triazole-4-carboxamide | C19H18F2N6O3

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

  • Molecular FormulaC19H18F2N6O3
  • Average mass416.381 Da
  • Monoisotopic mass416.140839 Da
  • ChemSpider ID71077908

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-1,2,3-Triazole-4-carboxamide, 1-[[(2S)-4,4-difluoro-1-(5-oxazolylcarbonyl)-2-pyrrolidinyl]methyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-1-{[(2S)-4,4-difluor-1-(1,3-oxazol-5-ylcarbonyl)-2-pyrrolidinyl]methyl}-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
N-Benzyl-1-{[(2S)-4,4-difluoro-1-(1,3-oxazol-5-ylcarbonyl)-2-pyrrolidinyl]methyl}-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
N-Benzyl-1-{[(2S)-4,4-difluoro-1-(1,3-oxazol-5-ylcarbonyl)-2-pyrrolidinyl]méthyl}-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
N-benzyl-1-{[(2S)-4,4-difluoro-1-(1,3-oxazol-5-ylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 103.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.29
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 40.85
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 40.85
Polar Surface Area: 106 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 276.9±7.0 cm3

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