3-[(acetyloxy)methyl]-7-[(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-[(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-[(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y501-7694 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 414.82 |
| Molecular Formula: | C15 H15 Cl N4 O6 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1c(cn(C)n1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.2612 |
| logD: | -5.8878 |
| logSw: | -2.3495 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.304 |
| InChI Key: | WYCFTMKDCJUVRN-UHFFFAOYSA-N |