ChemSpider 2D Image | 1-({2-Carboxy-8-hydroxy-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octa-2,7-dien-3-yl}methyl)pyridinium | C19H18N3O4S2

1-({2-Carboxy-8-hydroxy-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octa-2,7-dien-3-yl}methyl)pyridinium

  • Molecular FormulaC19H18N3O4S2
  • Average mass416.493 Da
  • Monoisotopic mass416.073334 Da
  • ChemSpider ID95727677

  • Charge - Charge

More details:

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

1-({2-Carboxy-8-hydroxy-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octa-2,7-dien-3-yl}methyl)pyridinium [German] [ACD/IUPAC Name]
1-({2-Carboxy-8-hydroxy-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octa-2,7-dien-3-yl}methyl)pyridinium [ACD/IUPAC Name]
1-[(2-Carboxy-8-hydroxy-7-{[2-(2-thiényl)acétyl]amino}-5-thia-1-azabicyclo[4.2.0]octa-2,7-dién-3-yl)méthyl]pyridinium [French] [ACD/IUPAC Name]
Pyridinium, 1-[[2-carboxy-8-hydroxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]octa-2,7-dien-3-yl]methyl]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.31
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.30
Polar Surface Area: 147 Å2
Polarizability:
Surface Tension:
Molar Volume:

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