di(propan-2-yl) 5-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 5-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
di(propan-2-yl) 5-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | Y501-7107 |
| Compound Name: | di(propan-2-yl) 5-[(1-ethyl-4-nitro-1H-pyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 432.43 |
| Molecular Formula: | C20 H24 N4 O7 |
| Smiles: | CCn1cc(c(C(Nc2cc(cc(c2)C(=O)OC(C)C)C(=O)OC(C)C)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4825 |
| logD: | 3.4432 |
| logSw: | -3.8611 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.324 |
| InChI Key: | CZQKFRUTIAUJMN-UHFFFAOYSA-N |