7-({5-[(2-chloro-5-nitrophenoxy)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-[(2-chloro-5-nitrophenoxy)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-[(2-chloro-5-nitrophenoxy)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: | Y502-4983 |
| Compound Name: | 7-({5-[(2-chloro-5-nitrophenoxy)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: | 624.07 |
| Molecular Formula: | C23 H18 Cl N5 O8 S3 |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C(O)=O)=O)NC(c2ccc(COc3cc(ccc3[Cl])[N+]([O-])=O)o2)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0898 |
| logD: | -2.172 |
| logSw: | -3.3311 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 140.655 |
| InChI Key: | YRDDWFKRJXETEX-UHFFFAOYSA-N |