4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,6-dimethylphenyl)piperidine-1-carbothioamide
Chemical Structure Depiction of
4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,6-dimethylphenyl)piperidine-1-carbothioamide
4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,6-dimethylphenyl)piperidine-1-carbothioamide
Compound characteristics
| Compound ID: | C429-0253 |
| Compound Name: | 4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,6-dimethylphenyl)piperidine-1-carbothioamide |
| Molecular Weight: | 492.04 |
| Molecular Formula: | C26 H26 Cl N5 O S |
| Smiles: | Cc1cccc(C)c1NC(N1CCC(CC1)c1cc(n2c(cc(c3ccc(cc3)[Cl])n2)n1)O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.8884 |
| logD: | 5.2855 |
| logSw: | -5.9943 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.1 |
| InChI Key: | MFKPDEHGAOBRHI-UHFFFAOYSA-N |