3-methyl-7-[2-methyl-3-(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-methyl-7-[2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-methyl-7-[2-methyl-3-(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: | Y508-4523 |
| Compound Name: | 3-methyl-7-[2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 395.39 |
| Molecular Formula: | C15 H17 N5 O6 S |
| Smiles: | CC(Cn1cc(cn1)[N+]([O-])=O)C(NC1C2N(C(=C(C)CS2)C(O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1174 |
| logD: | -5.0142 |
| logSw: | -1.8095 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.876 |
| InChI Key: | QEHHUFJINZLAJE-UHFFFAOYSA-N |