7-({5-[(4-chloro-2-methylphenoxy)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-carboxylic acid
Chemical Structure Depiction of
7-({5-[(4-chloro-2-methylphenoxy)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-carboxylic acid
7-({5-[(4-chloro-2-methylphenoxy)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-carboxylic acid
Compound characteristics
| Compound ID: | Y502-2798 |
| Compound Name: | 7-({5-[(4-chloro-2-methylphenoxy)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-carboxylic acid |
| Molecular Weight: | 593.1 |
| Molecular Formula: | C24 H21 Cl N4 O6 S3 |
| Smiles: | Cc1cc(ccc1OCc1ccc(C(NC2C3N(C(=C(CS3)CSc3nnc(C)s3)C(O)=O)C2=O)=O)o1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0278 |
| logD: | -1.234 |
| logSw: | -4.3623 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.273 |
| InChI Key: | KQEUKWKOFKJHTQ-UHFFFAOYSA-N |