3-[(acetyloxy)methyl]-7-[2-(4-nitro-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-nitro-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-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | D052-0047 |
| Compound Name: | 3-[(acetyloxy)methyl]-7-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 439.4 |
| Molecular Formula: | C16 H17 N5 O8 S |
| Smiles: | CC(C(NC1C2N(C(=C(COC(C)=O)CS2)C(O)=O)C1=O)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.9036 |
| logD: | -6.5303 |
| logSw: | -1.6105 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 138.912 |
| InChI Key: | AJGSPZCTZVQHKB-UHFFFAOYSA-N |