3-{[(1-methyl-1H-tetrazol-5-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-{[(1-methyl-1H-tetrazol-5-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-{[(1-methyl-1H-tetrazol-5-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: | D052-0049 |
| Compound Name: | 3-{[(1-methyl-1H-tetrazol-5-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: | 495.49 |
| Molecular Formula: | C16 H17 N9 O6 S2 |
| Smiles: | CC(C(NC1C2N(C(=C(CS2)CSc2nnnn2C)C(O)=O)C1=O)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.2216 |
| logD: | -6.4834 |
| logSw: | -1.6233 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 157.753 |
| InChI Key: | CFMVGEZITPEHLY-UHFFFAOYSA-N |