ChemSpider 2D Image | 1-{1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-azetidinyl}-N-(2-methoxyethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide | C15H22N6O5S

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

  • Molecular FormulaC15H22N6O5S
  • Average mass398.437 Da
  • Monoisotopic mass398.137238 Da
  • ChemSpider ID65239874

More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 646.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.0±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 97.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.27
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.60
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.60
Polar Surface Area: 132 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 262.1±7.0 cm3

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