ChemSpider 2D Image | 7-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one | C11H15N5O4S

7-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

  • Molecular FormulaC11H15N5O4S
  • Average mass313.333 Da
  • Monoisotopic mass313.084473 Da
  • ChemSpider ID44219739

More details:

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

3H-1,2,4-Triazolo[4,3-d][1,4]diazepin-3-one, 7-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2,5,6,7,8,9-hexahydro- [ACD/Index Name]
7-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-on [German] [ACD/IUPAC Name]
7-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one [ACD/IUPAC Name]
7-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-one [French] [ACD/IUPAC Name]
7-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 74.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.06
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.37
Polar Surface Area: 116 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 182.3±7.0 cm3

Click to predict properties on the Chemicalize site


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