4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0336 |
| Compound Name: | 4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 389.9 |
| Molecular Formula: | C18 H20 Cl N5 O S |
| Smiles: | CSc1nc(c2ccc(cc2)[Cl])c(C#N)c(n1)N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | 3.392 |
| logD: | 3.3337 |
| logSw: | -4.2204 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.918 |
| InChI Key: | UVSXTOAXDVXKRJ-UHFFFAOYSA-N |