7-{2-[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-[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-[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: | D052-0037 |
| Compound Name: | 7-{2-[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: | 500.5 |
| Molecular Formula: | C17 H18 F2 N8 O4 S2 |
| Smiles: | Cc1cc(C(F)F)nn1CC(NC1C2N(C(=C(CS2)CSc2nnnn2C)C(O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.9309 |
| logD: | -6.1926 |
| logSw: | -1.5464 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.777 |
| InChI Key: | GJBSINNAPVZPID-UHFFFAOYSA-N |