3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0048 |
| Compound Name: | 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-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: | CC(C(NC1C2N(C(=C(CS2)CSc2nnc(C)s2)C(O)=O)C1=O)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.2989 |
| logD: | -5.5606 |
| logSw: | -1.7107 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 140.081 |
| InChI Key: | UKUJRDHWNBDZFT-UHFFFAOYSA-N |