ChemSpider 2D Image | 3-Methyl-8-oxo-7-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C17H15N3O6S

3-Methyl-8-oxo-7-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC17H15N3O6S
  • Average mass389.383 Da
  • Monoisotopic mass389.068146 Da
  • ChemSpider ID28567224

More details:






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

3-Methyl-8-oxo-7-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
3-Methyl-8-oxo-7-{[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-[[2-(2-oxo-3(2H)-benzoxazolyl)acetyl]amino]- [ACD/Index Name]
Acide 3-méthyl-8-oxo-7-{[2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acétyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
15233-47-3 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.740
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 91.4±5.0 dyne/cm
Molar Volume: 233.4±5.0 cm3

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