3-[(acetyloxy)methyl]-7-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-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)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y502-8213 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 456.9 |
| Molecular Formula: | C18 H21 Cl N4 O6 S |
| Smiles: | CC(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: | 0.1411 |
| logD: | -5.4856 |
| logSw: | -2.5518 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.59 |
| InChI Key: | QBYLKYAIZJNCJE-UHFFFAOYSA-N |