3-[(acetyloxy)methyl]-7-(2,6-difluorobenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-(2,6-difluorobenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-(2,6-difluorobenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D177-1132 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-(2,6-difluorobenzamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 412.37 |
| Molecular Formula: | C17 H14 F2 N2 O6 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1c(cccc1F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9141 |
| logD: | -4.7126 |
| logSw: | -2.0562 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.949 |
| InChI Key: | TUSHSGLDAAPNCX-UHFFFAOYSA-N |