7-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
7-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0028 |
| Compound Name: | 7-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 509.52 |
| Molecular Formula: | C17 H19 N9 O6 S2 |
| Smiles: | CC(C(NC1C2N(C(=C(CS2)CSc2nnnn2C)C(O)=O)C1=O)=O)n1c(C)cc(n1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.132 |
| logD: | -6.3938 |
| logSw: | -1.8004 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 156.924 |
| InChI Key: | XXQHIEVIGDPRPS-UHFFFAOYSA-N |