ethyl 4-{[1-(3-chloro-2-methylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-{[1-(3-chloro-2-methylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
ethyl 4-{[1-(3-chloro-2-methylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | G362-0632 |
| Compound Name: | ethyl 4-{[1-(3-chloro-2-methylphenyl)-5-(piperidin-4-yl)-1H-pyrazole-4-carbonyl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 503.43 |
| Molecular Formula: | C25 H27 Cl N4 O3 |
| Salt: | HCl |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cnn(c2cccc(c2C)[Cl])c1C1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2102 |
| logD: | 0.7292 |
| logSw: | -4.4612 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.758 |
| InChI Key: | GUYVTYPBCJLMQT-UHFFFAOYSA-N |