7-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamido]-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-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamido]-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-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamido]-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: | D052-0112 |
| Compound Name: | 7-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamido]-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: | 543.08 |
| Molecular Formula: | C20 H23 Cl N6 O4 S3 |
| Smiles: | CC(Cn1c(C)c(c(C)n1)[Cl])C(NC1C2N(C(=C(CS2)CSc2nnc(C)s2)C(O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9105 |
| logD: | -4.3513 |
| logSw: | -2.5162 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.671 |
| InChI Key: | AOCKKLGPVFUIDD-UHFFFAOYSA-N |