7-[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]-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-[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]-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-[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]-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: | Y501-9031 |
| Compound Name: | 7-[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)amino]-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: | 501 |
| Molecular Formula: | C17 H17 Cl N6 O4 S3 |
| Smiles: | Cc1c(c(C(NC2C3N(C(=C(CS3)CSc3nnc(C)s3)C(O)=O)C2=O)=O)n(C)n1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4902 |
| logD: | -4.7716 |
| logSw: | -2.502 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.986 |
| InChI Key: | NREKQWVIVINMIT-UHFFFAOYSA-N |