3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-({5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbonyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-({5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbonyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-({5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbonyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y502-2765 |
| Compound Name: | 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-({5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbonyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 616.59 |
| Molecular Formula: | C23 H16 F4 N4 O6 S3 |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C(O)=O)=O)NC(c2ccc(COc3c(c(cc(c3F)F)F)F)o2)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.19 |
| logD: | -2.0718 |
| logSw: | -3.3183 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.36 |
| InChI Key: | LPDOFRDFUJHKKS-UHFFFAOYSA-N |