3-[(acetyloxy)methyl]-7-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Chemical Structure Depiction of
3-[(acetyloxy)methyl]-7-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
3-[(acetyloxy)methyl]-7-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Compound characteristics
| Compound ID: | Y502-0939 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Molecular Weight: | 537.36 |
| Molecular Formula: | C19 H22 Br N4 O6 S |
| Salt: | Na+ |
| Smiles: | CC(Cn1c(C)c(c(C)n1)[Br])C(NC1C2N(C(=C(COC(C)=O)CS2)C([O-])=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.355 |
| logD: | 0.355 |
| logSw: | -1.7464 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.502 |
| InChI Key: | IUTVAJOSFKUTOP-UHFFFAOYSA-M |