ChemSpider 2D Image | 1-({(2S)-1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-pyrrolidinyl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide | C16H24N6O5S

1-({(2S)-1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-pyrrolidinyl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC16H24N6O5S
  • Average mass412.464 Da
  • Monoisotopic mass412.152893 Da
  • ChemSpider ID71295396

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-({(2S)-1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-pyrrolidinyl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1-({(2S)-1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-pyrrolidinyl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-({(2S)-1-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-2-pyrrolidinyl}méthyl)-N-(2-méthoxyéthyl)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 1-[[(2S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2-pyrrolidinyl]methyl]-N-(2-methoxyethyl)- [ACD/Index Name]

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: 1.667
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.36
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.10
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.10
Polar Surface Area: 141 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 272.9±7.0 cm3

Click to predict properties on the Chemicalize site


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