3-[(acetyloxy)methyl]-7-[(4-chloro-1-ethyl-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-ethyl-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-ethyl-1H-pyrazole-3-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y501-8658 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[(4-chloro-1-ethyl-1H-pyrazole-3-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: | CCn1cc(c(C(NC2C3N(C(=C(COC(C)=O)CS3)C(O)=O)C2=O)=O)n1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.146 |
| logD: | -5.4806 |
| logSw: | -2.4701 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.997 |
| InChI Key: | FLBVSFICUQZEDV-UHFFFAOYSA-N |