7-[3-(4-chloro-3-methyl-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-[3-(4-chloro-3-methyl-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-[3-(4-chloro-3-methyl-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: | Y502-9646 |
| Compound Name: | 7-[3-(4-chloro-3-methyl-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: | 515.03 |
| Molecular Formula: | C18 H19 Cl N6 O4 S3 |
| Smiles: | Cc1c(cn(CCC(NC2C3N(C(=C(CS3)CSc3nnc(C)s3)C(O)=O)C2=O)=O)n1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.5746 |
| logD: | -4.6871 |
| logSw: | -2.4276 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.013 |
| InChI Key: | ULUSWTFNYOCDPK-UHFFFAOYSA-N |