3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-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-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-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-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0004 |
| Compound Name: | 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-[4-(4-nitro-1H-pyrazol-1-yl)butanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 525.58 |
| Molecular Formula: | C18 H19 N7 O6 S3 |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C(O)=O)=O)NC(CCCn2cc(cn2)[N+]([O-])=O)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.5695 |
| logD: | -5.8312 |
| logSw: | -1.5186 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 140.041 |
| InChI Key: | JDMQPFWSLVWFGR-UHFFFAOYSA-N |