3-[(acetyloxy)methyl]-7-(3-bromo-4-methylbenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-(3-bromo-4-methylbenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-(3-bromo-4-methylbenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0061 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-(3-bromo-4-methylbenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 469.31 |
| Molecular Formula: | C18 H17 Br N2 O6 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1ccc(C)c(c1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0173 |
| logD: | -3.6094 |
| logSw: | -2.3053 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.949 |
| InChI Key: | PUCMYBMTUFAQTM-UHFFFAOYSA-N |