ChemSpider 2D Image | (6R,7R)-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 | C23H27ClN4O4S3

(6R,7R)-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

  • Molecular FormulaC23H27ClN4O4S3
  • Average mass555.133 Da
  • Monoisotopic mass554.088318 Da
  • ChemSpider ID167496
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6R,7R)-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]
(6R,7R)-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]
(6R,7R)-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]
Piperazinium, 4-[[[[(6R,7R)-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-[[2-(3-CHLOROPHENYL)ACETYL]AMINO]-3-[(4,4-DIMETHYL2,3,5,6-TE TRAHYDROPYRAZINE-1-CARBOTHIOYL)SULFANYLMETHYL]-8-OXO-5-THIA-1-AZABICYC LO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
22561-27-9 [RN]
7-(m-Chlorophenylacetamido)-3-(4,4-dimethylpiperazinium-1-thiocarbonyl-thiomethyl)-3-cephem-4-carboxylate
CEFACLOMEZINE
Cephachlomezine
UNII:7PHG6N6UM8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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:

Click to predict properties on the Chemicalize site





Feedback Form