3-[(acetyloxy)methyl]-7-[(4-chloro-1,3-dimethyl-1H-pyrazole-5-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-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D177-1128 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 428.85 |
| Molecular Formula: | C16 H17 Cl N4 O6 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1c(c(C)nn1C)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1146 |
| logD: | -5.7413 |
| logSw: | -2.508 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.817 |
| InChI Key: | LJSRYNMAEYOESR-UHFFFAOYSA-N |