7-(2,5-dimethylbenzamido)-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-(2,5-dimethylbenzamido)-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-(2,5-dimethylbenzamido)-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: | Y502-6001 |
| Compound Name: | 7-(2,5-dimethylbenzamido)-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: | 476.59 |
| Molecular Formula: | C20 H20 N4 O4 S3 |
| Smiles: | Cc1ccc(C)c(c1)C(NC1C2N(C(=C(CS2)CSc2nnc(C)s2)C(O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5756 |
| logD: | -2.6862 |
| logSw: | -2.7935 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.118 |
| InChI Key: | PDEMRCOYISWIBS-UHFFFAOYSA-N |