sodium--3-[(acetyloxy)methyl]-7-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
Chemical Structure Depiction of
sodium--3-[(acetyloxy)methyl]-7-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
sodium--3-[(acetyloxy)methyl]-7-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1)
Compound characteristics
| Compound ID: | Y502-1891 |
| Compound Name: | sodium--3-[(acetyloxy)methyl]-7-{2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (1/1) |
| Molecular Weight: | 589.32 |
| Molecular Formula: | C19 H17 Br F3 N4 O6 S |
| Salt: | Na+ |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C([O-])=O)=O)NC(Cn1c(C2CC2)c(c(C(F)(F)F)n1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6914 |
| logD: | 1.6914 |
| logSw: | -2.0884 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.763 |
| InChI Key: | WOZLUSODATVCBH-UHFFFAOYSA-M |