ChemSpider 2D Image | CEFACLOMEZINE | C23H27ClN4O4S3

CEFACLOMEZINE

  • Molecular FormulaC23H27ClN4O4S3
  • Average mass555.133 Da
  • Monoisotopic mass554.088318 Da
  • ChemSpider ID26504491

More details:

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

7-{[(3-Chlorophenyl)acetyl]amino}-3-({[(4,4-dimethylpiperazin-4-ium-1-yl)carbonothioyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
7-{[(3-Chlorphenyl)acetyl]amino}-3-({[(4,4-dimethylpiperazin-4-ium-1-yl)carbonothioyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
7-{[2-(3-Chlorophényl)acétyl]amino}-3-({[(4,4-diméthylpipérazin-4-ium-1-yl)carbonothioyl]sulfanyl}méthyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
CEFACLOMEZINE
Piperazinium, 4-[[[[2-carboxy-7-[[2-(3-chlorophenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]thioxomethyl]-1,1-dimethyl-, inner salt [ACD/Index Name]
(6R,7R)-7-{[(3-CHLOROPHENYL)ACETYL]AMINO}-3-({[(4,4-DIMETHYLPIPERAZIN-4-IUM-1-YL)CARBOTHIOYL]SULFANYL}METHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
22561-27-9 [RN]
2555-20-6 [RN]

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

7PHG6N6UM8 [DBID]

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: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.18
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.19
Polar Surface Area: 175 Å2
Polarizability:
Surface Tension:
Molar Volume:

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