N-(3-chloro-4-methylphenyl)-4-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)piperidine-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-4-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)piperidine-1-carbothioamide
N-(3-chloro-4-methylphenyl)-4-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)piperidine-1-carbothioamide
Compound characteristics
| Compound ID: | C429-0190 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-(5-hydroxy-1-phenyl-1H-pyrazol-3-yl)piperidine-1-carbothioamide |
| Molecular Weight: | 426.97 |
| Molecular Formula: | C22 H23 Cl N4 O S |
| Smiles: | Cc1ccc(cc1[Cl])NC(N1CCC(CC1)c1cc(n(c2ccccc2)n1)O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.4023 |
| logD: | 4.8119 |
| logSw: | -5.5477 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.431 |
| InChI Key: | KEHXAGYCTIKCDP-UHFFFAOYSA-N |