4-(4-chlorophenyl)-6-[4-(4-methylpiperidin-1-yl)anilino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-[4-(4-methylpiperidin-1-yl)anilino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-[4-(4-methylpiperidin-1-yl)anilino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0329 |
| Compound Name: | 4-(4-chlorophenyl)-6-[4-(4-methylpiperidin-1-yl)anilino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 450 |
| Molecular Formula: | C24 H24 Cl N5 S |
| Smiles: | CC1CCN(CC1)c1ccc(cc1)Nc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.5357 |
| logD: | 6.5145 |
| logSw: | -6.8652 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.091 |
| InChI Key: | JTIOXPCNWDLPJQ-UHFFFAOYSA-N |