4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-[3-(methylsulfanyl)phenyl]piperidine-1-carbothioamide
Chemical Structure Depiction of
4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-[3-(methylsulfanyl)phenyl]piperidine-1-carbothioamide
4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-[3-(methylsulfanyl)phenyl]piperidine-1-carbothioamide
Compound characteristics
| Compound ID: | C429-0258 |
| Compound Name: | 4-[2-(4-chlorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl]-N-[3-(methylsulfanyl)phenyl]piperidine-1-carbothioamide |
| Molecular Weight: | 510.08 |
| Molecular Formula: | C25 H24 Cl N5 O S2 |
| Smiles: | CSc1cccc(c1)NC(N1CCC(CC1)c1cc(n2c(cc(c3ccc(cc3)[Cl])n2)n1)O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.0028 |
| logD: | 5.3999 |
| logSw: | -6.0958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.495 |
| InChI Key: | LTJVGQBKANFLLM-UHFFFAOYSA-N |