4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V003-5234 |
| Compound Name: | 4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 524.13 |
| Molecular Formula: | C28 H34 Cl N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)c2ccccc2[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1769 |
| logD: | 6.1752 |
| logSw: | -6.0144 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.867 |
| InChI Key: | KJYDQHDYSGXCRW-UHFFFAOYSA-N |