1-[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide
1-[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D490-0432 |
| Compound Name: | 1-[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]piperidine-4-carboxamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C19 H21 N5 O S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(nc(n1)SC)N1CCC(CC1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2405 |
| logD: | 3.2405 |
| logSw: | -3.1552 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.531 |
| InChI Key: | YJXIRNWXRHMZOR-UHFFFAOYSA-N |