1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]heptan-1-one
Chemical Structure Depiction of
1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]heptan-1-one
1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]heptan-1-one
Compound characteristics
| Compound ID: | V031-0151 |
| Compound Name: | 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]heptan-1-one |
| Molecular Weight: | 408.59 |
| Molecular Formula: | C25 H36 N4 O |
| Smiles: | CCCCCCC(N1CCN(CC1)c1c(Cc2ccccc2)c(CC)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6907 |
| logD: | 5.581 |
| logSw: | -5.1628 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.002 |
| InChI Key: | MELVNKAWTONQFZ-UHFFFAOYSA-N |