3-[(acetyloxy)methyl]-8-oxo-7-propanamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-8-oxo-7-propanamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-8-oxo-7-propanamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y502-5996 |
| Compound Name: | 3-[(acetyloxy)methyl]-8-oxo-7-propanamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 328.34 |
| Molecular Formula: | C13 H16 N2 O6 S |
| Smiles: | CCC(NC1C2N(C(=C(COC(C)=O)CS2)C(O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.3618 |
| logD: | -5.9884 |
| logSw: | -1.4369 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.007 |
| InChI Key: | SOXAXJJPBJBMGR-UHFFFAOYSA-N |