sodium--7-({5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl}amino)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
Chemical Structure Depiction of
sodium--7-({5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl}amino)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
sodium--7-({5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl}amino)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
Compound characteristics
| Compound ID: | Y502-3212 |
| Compound Name: | sodium--7-({5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl}amino)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1) |
| Molecular Weight: | 635.5 |
| Molecular Formula: | C23 H17 Cl2 N4 O6 S3 |
| Salt: | Na+ |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C([O-])=O)=O)NC(c2ccc(COc3ccc(cc3[Cl])[Cl])o2)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5325 |
| logD: | 3.5325 |
| logSw: | -3.8104 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.273 |
| InChI Key: | SZUAEBJYEKKOME-UHFFFAOYSA-M |