7-(2-methylbenzamido)-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-methylbenzamido)-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-methylbenzamido)-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: | Y502-6426 |
Compound Name: | 7-(2-methylbenzamido)-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: | 462.57 |
Molecular Formula: | C19 H18 N4 O4 S3 |
Smiles: | Cc1ccccc1C(NC1C2N(C(=C(CS2)CSc2nnc(C)s2)C(O)=O)C1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.9364 |
logD: | -3.3254 |
logSw: | -2.6263 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 92.118 |
InChI Key: | WMJNLXQKEXPOMY-UHFFFAOYSA-N |