dimethyl 5-{[1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzene-1,3-dicarboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
dimethyl 5-{[1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzene-1,3-dicarboxylate--hydrogen chloride (1/1)
dimethyl 5-{[1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzene-1,3-dicarboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E922-1285 |
| Compound Name: | dimethyl 5-{[1-phenyl-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzene-1,3-dicarboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C25 H26 N4 O5 |
| Salt: | HCl |
| Smiles: | COC(c1cc(cc(c1)NC(c1cnn(c2ccccc2)c1C1CCNCC1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9439 |
| logD: | -0.5371 |
| logSw: | -3.3913 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.653 |
| InChI Key: | GORYBCGBBWIXTC-UHFFFAOYSA-N |