N-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide
N-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide
Compound characteristics
| Compound ID: | C429-0250 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide |
| Molecular Weight: | 528.46 |
| Molecular Formula: | C25 H23 Cl2 N5 O2 S |
| Smiles: | COc1ccc(cc1NC(N1CCC(CC1)c1cc(n2c(cc(c3ccc(cc3)[Cl])n2)n1)O)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1384 |
| logD: | 5.5355 |
| logSw: | -6.0585 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.428 |
| InChI Key: | BFUPPCCLZAUPDM-UHFFFAOYSA-N |