7-[(1,5-dimethyl-4-nitro-1H-pyrazole-3-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-[(1,5-dimethyl-4-nitro-1H-pyrazole-3-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-[(1,5-dimethyl-4-nitro-1H-pyrazole-3-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: | D177-1124 |
| Compound Name: | 7-[(1,5-dimethyl-4-nitro-1H-pyrazole-3-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: | 511.56 |
| Molecular Formula: | C17 H17 N7 O6 S3 |
| Smiles: | Cc1c(c(C(NC2C3N(C(=C(CS3)CSc3nnc(C)s3)C(O)=O)C2=O)=O)nn1C)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0348 |
| logD: | -5.2966 |
| logSw: | -1.9035 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.93 |
| InChI Key: | WYPCPIYDDGHYMF-UHFFFAOYSA-N |