3-[(acetyloxy)methyl]-7-{2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-{2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-{2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D177-1147 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-{2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 504.9 |
| Molecular Formula: | C19 H19 Cl F2 N4 O6 S |
| Smiles: | [H]C(c1c(c(C2CC2)n(CC(NC2C3N(C(=C(COC(C)=O)CS3)C(O)=O)C2=O)=O)n1)[Cl])(F)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3879 |
| logD: | -4.2388 |
| logSw: | -2.6357 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.763 |
| InChI Key: | HNETYTVYQRECAI-UHFFFAOYSA-N |