3-[(acetyloxy)methyl]-7-[(1-ethyl-1H-pyrazole-4-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-[(1-ethyl-1H-pyrazole-4-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-[(1-ethyl-1H-pyrazole-4-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y503-1711 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[(1-ethyl-1H-pyrazole-4-carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 394.4 |
| Molecular Formula: | C16 H18 N4 O6 S |
| Smiles: | CCn1cc(cn1)C(NC1C2N(C(=C(COC(C)=O)CS2)C(O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.5173 |
| logD: | -6.1439 |
| logSw: | -1.5373 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.45 |
| InChI Key: | GVVSTSDXJKKBLX-UHFFFAOYSA-N |