ChemSpider 2D Image | 3-[({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C26H26N4O6S3

3-[({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC26H26N4O6S3
  • Average mass586.703 Da
  • Monoisotopic mass586.101440 Da
  • ChemSpider ID95647504

More details:

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

3-[({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
3-[({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)methyl]-8-oxo-7-[(2-thienylacetyl)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-[[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]- [ACD/Index Name]
Acide 3-[({[5-(diméthylamino)-1-naphtyl]sulfonyl}amino)méthyl]-8-oxo-7-{[2-(2-thiényl)acétyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 151.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.18
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 86.1±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

Click to predict properties on the Chemicalize site


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