7-[2-(4-chloro-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-(4-chloro-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-(4-chloro-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: | D052-0055 |
| Compound Name: | 7-[2-(4-chloro-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: | 484.94 |
| Molecular Formula: | C16 H17 Cl N8 O4 S2 |
| Smiles: | CC(C(NC1C2N(C(=C(CS2)CSc2nnnn2C)C(O)=O)C1=O)=O)n1cc(cn1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.5349 |
| logD: | -5.7966 |
| logSw: | -2.1545 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.371 |
| InChI Key: | SRFXZBVHYQPYLN-UHFFFAOYSA-N |