di(propan-2-yl) 5-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 5-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]benzene-1,3-dicarboxylate
di(propan-2-yl) 5-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | Y501-4682 |
| Compound Name: | di(propan-2-yl) 5-[3-(4-nitro-1H-pyrazol-1-yl)propanamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 432.43 |
| Molecular Formula: | C20 H24 N4 O7 |
| Smiles: | CC(C)OC(c1cc(cc(c1)NC(CCn1cc(cn1)[N+]([O-])=O)=O)C(=O)OC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1013 |
| logD: | 3.1012 |
| logSw: | -3.4145 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.119 |
| InChI Key: | KENPEBFDQNEOOI-UHFFFAOYSA-N |