ChemSpider 2D Image | N-[2-{[2-(Dihydroxymethylene)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]amino}-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-4-ethyl-2,3-dioxo-1-piperazinecarboxamide | C24H28N6O10S

N-[2-{[2-(Dihydroxymethylene)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]amino}-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-4-ethyl-2,3-dioxo-1-piperazinecarboxamide

  • Molecular FormulaC24H28N6O10S
  • Average mass592.578 Da
  • Monoisotopic mass592.158752 Da
  • ChemSpider ID95639485

More details:

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

1-Piperazinecarboxamide, N-[2-[[2-(dihydroxymethylene)-6-(formylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]amino]-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-4-ethyl-2,3-dioxo- [ACD/Index Name]
N-[2-{[2-(Dihydroxymethylen)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]amino}-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-4-ethyl-2,3-dioxo-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-[2-{[2-(Dihydroxymethylene)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]amino}-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-4-ethyl-2,3-dioxo-1-piperazinecarboxamide [ACD/IUPAC Name]
N-[2-{[2-(Dihydroxyméthylène)-6-formamido-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]amino}-1-(3,4-dihydroxyphényl)-2-oxoéthyl]-4-éthyl-2,3-dioxo-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.27
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.15
Polar Surface Area: 254 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 108.6±5.0 dyne/cm
Molar Volume: 347.1±5.0 cm3

Click to predict properties on the Chemicalize site


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