ChemSpider 2D Image | 3-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-azetidinyl}-1-propanone | C14H19N5O4S

3-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-azetidinyl}-1-propanone

  • Molecular FormulaC14H19N5O4S
  • Average mass353.397 Da
  • Monoisotopic mass353.115784 Da
  • ChemSpider ID35011548

More details:

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

1-Propanone, 3-(3,5-dimethyl-4-isoxazolyl)-1-[3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-azetidinyl]- [ACD/Index Name]
3-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-azetidinyl}-1-propanon [German] [ACD/IUPAC Name]
3-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-azetidinyl}-1-propanone [ACD/IUPAC Name]
3-(3,5-Diméthyl-1,2-oxazol-4-yl)-1-{3-[(4-méthyl-4H-1,2,4-triazol-3-yl)sulfonyl]-1-azétidinyl}-1-propanone [French] [ACD/IUPAC Name]
2034443-72-4 [RN]
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl]azetidin-1-yl}propan-1-one
3-(3,5-dimethylisoxazol-4-yl)-1-(3-((4-methyl-4H-1,2,4-triazol-3-yl)sulfonyl)azetidin-1-yl)propan-1-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 652.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.4±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 87.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.98
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.98
Polar Surface Area: 120 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 229.6±7.0 cm3

Click to predict properties on the Chemicalize site


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