7-{2-[5-cyclopropyl-3-(difluoromethyl)-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-[5-cyclopropyl-3-(difluoromethyl)-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-[5-cyclopropyl-3-(difluoromethyl)-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: | D052-0034 |
| Compound Name: | 7-{2-[5-cyclopropyl-3-(difluoromethyl)-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: | 526.54 |
| Molecular Formula: | C19 H20 F2 N8 O4 S2 |
| Smiles: | Cn1c(nnn1)SCC1CSC2C(C(N2C=1C(O)=O)=O)NC(Cn1c(cc(C(F)F)n1)C1CC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0543 |
| logD: | -5.316 |
| logSw: | -1.7294 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.058 |
| InChI Key: | NGEHZQYUQUZTQF-UHFFFAOYSA-N |