ChemSpider 2D Image | 1-({2-Carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)-2-{(E)-[4-(dimethylamino)phenyl]diazenyl}pyridinium | C27H27N6O4S2

1-({2-Carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)-2-{(E)-[4-(dimethylamino)phenyl]diazenyl}pyridinium

  • Molecular FormulaC27H27N6O4S2
  • Average mass563.670 Da
  • Monoisotopic mass563.152954 Da
  • ChemSpider ID95788648

  • Charge - Charge

More details:

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

1-({2-Carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)-2-{(E)-[4-(dimethylamino)phenyl]diazenyl}pyridinium [German] [ACD/IUPAC Name]
1-({2-Carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)-2-{(E)-[4-(dimethylamino)phenyl]diazenyl}pyridinium [ACD/IUPAC Name]
1-[(2-Carboxy-8-oxo-7-{[2-(2-thiényl)acétyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-én-3-yl)méthyl]-2-{(E)-[4-(diméthylamino)phényl]diazényl}pyridinium [French] [ACD/IUPAC Name]
Pyridinium, 1-[[2-carboxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-2-[(E)-2-[4-(dimethylamino)phenyl]diazenyl]- [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: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.22
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.32
Polar Surface Area: 172 Å2
Polarizability:
Surface Tension:
Molar Volume:

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