7-{2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamido}-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-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamido}-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-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamido}-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: | D052-0031 |
| Compound Name: | 7-{2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamido}-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: | 534.95 |
| Molecular Formula: | C17 H17 Cl F2 N8 O4 S2 |
| Smiles: | Cc1c(c(C(F)F)nn1CC(NC1C2N(C(=C(CS2)CSc2nnnn2C)C(O)=O)C1=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0652 |
| logD: | -5.327 |
| logSw: | -2.5224 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.323 |
| InChI Key: | WXJFBOCHVBPNTB-UHFFFAOYSA-N |