3-[(acetyloxy)methyl]-7-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]-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-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Available: 222 mg
Amount:
mg
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Compound characteristics

Compound ID: D052-0117
Compound Name: 3-[(acetyloxy)methyl]-7-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Weight: 470.93
Molecular Formula: C19 H23 Cl N4 O6 S
Smiles: CCC(C(NC1C2N(C(=C(COC(C)=O)CS2)C(O)=O)C1=O)=O)n1c(C)c(c(C)n1)[Cl]
Stereo: MIXTURE OF STEREOISOMERS
logP: 0.8176
logD: -4.8091
logSw: -2.5266
Hydrogen bond acceptors count: 12
Hydrogen bond donors count: 2
Polar surface area: 105.175
InChI Key: ZHQZTOVPVWKESO-UHFFFAOYSA-N
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