ChemSpider 2D Image | 7-{[{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}(4-hydroxyphenyl)acetyl]amino}-3-{[(5-methyl-5H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C25H27N9O8S2

7-{[{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}(4-hydroxyphenyl)acetyl]amino}-3-{[(5-methyl-5H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC25H27N9O8S2
  • Average mass645.667 Da
  • Monoisotopic mass645.142395 Da
  • ChemSpider ID28423796

More details:

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

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(5-methyl-5H-tetrazol-5-yl)thio]methyl]-8-oxo- [ACD/Index Name]
7-{[{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}(4-hydroxyphenyl)acetyl]amino}-3-{[(5-methyl-5H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
7-{[{[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}(4-hydroxyphenyl)acetyl]amino}-3-{[(5-methyl-5H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-{[2-{[(4-éthyl-2,3-dioxo-1-pipérazinyl)carbonyl]amino}-2-(4-hydroxyphényl)acétyl]amino}-3-{[(5-méthyl-5H-tétrazol-5-yl)sulfanyl]méthyl}-8-oxo-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: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.819
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 17
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 87.7±7.0 dyne/cm
Molar Volume: 363.0±7.0 cm3

Click to predict properties on the Chemicalize site


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