N-(3-chloro-4-fluorophenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide
N-(3-chloro-4-fluorophenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide
Compound characteristics
| Compound ID: | C429-0254 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide |
| Molecular Weight: | 516.42 |
| Molecular Formula: | C24 H20 Cl2 F N5 O S |
| Smiles: | C1CN(CCC1c1cc(n2c(cc(c3ccc(cc3)[Cl])n2)n1)O)C(Nc1ccc(c(c1)[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 6.272 |
| logD: | 5.6691 |
| logSw: | -5.9813 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.495 |
| InChI Key: | KDCUZCHYZPUPLW-UHFFFAOYSA-N |