7-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-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-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-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-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-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: | Y502-8204 |
| Compound Name: | 7-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanamido]-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: | 529.06 |
| Molecular Formula: | C19 H21 Cl N6 O4 S3 |
| Smiles: | CC(C(NC1C2N(C(=C(CS2)CSc2nnc(C)s2)C(O)=O)C1=O)=O)n1c(C)c(c(C)n1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7458 |
| logD: | -4.5159 |
| logSw: | -2.5035 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.759 |
| InChI Key: | GJSFKTMPTNFHKN-UHFFFAOYSA-N |