ChemSpider 2D Image | 3-[(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)carboximidato]-2-quinoxalinecarboxylate | C18H14N4O6S

3-[(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)carboximidato]-2-quinoxalinecarboxylate

  • Molecular FormulaC18H14N4O6S
  • Average mass414.393 Da
  • Monoisotopic mass414.064514 Da
  • ChemSpider ID95638234

  • Charge - Charge

More details:

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

3-[(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)carboximidato]-2-chinoxalincarboxylat [German] [ACD/IUPAC Name]
3-[(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)carboximidato]-2-quinoxalinecarboxylate [ACD/IUPAC Name]
3-[(2-Carboxy-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)carboximidato]-2-quinoxalinecarboxylate [French] [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(1Z)-(3-carboxy-2-quinoxalinyl)hydroxymethylene]amino]-3,3-dimethyl-7-oxo-, ion(2-) [ACD/Index Name]

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

Density:
Boiling Point: 766.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.5±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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