3-[(acetyloxy)methyl]-7-({5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-({5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-({5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0076 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-({5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 508.45 |
| Molecular Formula: | C22 H18 F2 N2 O8 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(c1ccc(COc2ccc(cc2F)F)o1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.025 |
| logD: | -3.6016 |
| logSw: | -2.5017 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.104 |
| InChI Key: | DOFPZHNBLIUWEV-UHFFFAOYSA-N |