3-[(acetyloxy)methyl]-7-[2-(4-bromo-3-methyl-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-bromo-3-methyl-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-bromo-3-methyl-1H-pyrazol-1-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0045 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[2-(4-bromo-3-methyl-1H-pyrazol-1-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 473.3 |
| Molecular Formula: | C16 H17 Br N4 O6 S |
| Smiles: | CC(=O)OCC1CSC2C(C(N2C=1C(O)=O)=O)NC(Cn1cc(c(C)n1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0831 |
| logD: | -5.7097 |
| logSw: | -1.7301 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.865 |
| InChI Key: | KAMWTXFZBCUMPX-UHFFFAOYSA-N |