3-[(acetyloxy)methyl]-8-oxo-7-(3-phenylbutanamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-8-oxo-7-(3-phenylbutanamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-8-oxo-7-(3-phenylbutanamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y502-3804 |
| Compound Name: | 3-[(acetyloxy)methyl]-8-oxo-7-(3-phenylbutanamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | CC(CC(NC1C2N(C(=C(COC(C)=O)CS2)C(O)=O)C1=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9537 |
| logD: | -3.673 |
| logSw: | -2.3494 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.735 |
| InChI Key: | NFWOAGOKRSGCBI-UHFFFAOYSA-N |