ChemSpider 2D Image | 6-{[{[(3,5-Dioxo-1-piperazinyl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | C21H23N5O7S

6-{[{[(3,5-Dioxo-1-piperazinyl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

  • Molecular FormulaC21H23N5O7S
  • Average mass489.502 Da
  • Monoisotopic mass489.131805 Da
  • ChemSpider ID26503536

More details:

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

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-[[(3,5-dioxo-1-piperazinyl)carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo- [ACD/Index Name]
6-{[{[(3,5-Dioxo-1-piperazinyl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
6-{[{[(3,5-Dioxo-1-piperazinyl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-[(2-{[(3,5-dioxo-1-pipérazinyl)carbonyl]amino}-2-phénylacétyl)amino]-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
(2S,5R,6R)-6-{[{[(3,5-DIOXOPIPERAZIN-1-YL)CARBONYL]AMINO}(PHENYL)ACETYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
6630-52-0 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 980.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.8±3.0 kJ/mol
Flash Point: 547.0±34.3 °C
Index of Refraction: 1.695
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 85.9±5.0 dyne/cm
Molar Volume: 309.5±5.0 cm3

Click to predict properties on the Chemicalize site


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