4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V008-2911 |
| Compound Name: | 4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 523.7 |
| Molecular Formula: | C31 H33 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nc(C)c(Cc2ccccc2)c(n1)N1CCN(CC1)C(Nc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7751 |
| logD: | 7.6109 |
| logSw: | -5.6832 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.506 |
| InChI Key: | LOECKNVFTRWACK-UHFFFAOYSA-N |