3-[(acetyloxy)methyl]-7-(3-cyanobenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-(3-cyanobenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-(3-cyanobenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0056 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-(3-cyanobenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C18 H15 N3 O6 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1cccc(C#N)c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4256 |
| logD: | -5.2011 |
| logSw: | -2.0498 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.005 |
| InChI Key: | SERGWHIGYVHAOQ-UHFFFAOYSA-N |