3-[(acetyloxy)methyl]-7-{2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-{2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Available: 76 mg
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mg
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Compound characteristics

Compound ID: D177-1144
Compound Name: 3-[(acetyloxy)methyl]-7-{2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Weight: 496.85
Molecular Formula: C17 H16 Cl F3 N4 O6 S
Smiles: CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(Cn1c(C)c(c(C(F)(F)F)n1)[Cl])=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 0.5071
logD: -5.1196
logSw: -2.5171
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 2
Polar surface area: 105.482
InChI Key: JGOLWJTXUMFBMK-UHFFFAOYSA-N
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