3-[(acetyloxy)methyl]-7-[2-(4-bromo-1H-pyrazol-1-yl)propanamido]-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-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-[2-(4-bromo-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0050 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[2-(4-bromo-1H-pyrazol-1-yl)propanamido]-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(C(NC1C2N(C(=C(COC(C)=O)CS2)C(O)=O)C1=O)=O)n1cc(cn1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.039 |
| logD: | -5.6657 |
| logSw: | -1.752 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.53 |
| InChI Key: | RCTXJSDDXBBPBK-UHFFFAOYSA-N |