3-[(acetyloxy)methyl]-7-(2,5-dimethylbenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-(2,5-dimethylbenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-(2,5-dimethylbenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y502-5994 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-(2,5-dimethylbenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C19 H20 N2 O6 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1cc(C)ccc1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9708 |
| logD: | -3.6559 |
| logSw: | -2.5739 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.949 |
| InChI Key: | CDXCKCJXRMXOOX-UHFFFAOYSA-N |