6-{[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl}-2-(4-heptanoylpiperazin-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl}-2-(4-heptanoylpiperazin-1-yl)pyrimidin-4(3H)-one
6-{[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl}-2-(4-heptanoylpiperazin-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V015-7118 |
| Compound Name: | 6-{[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl}-2-(4-heptanoylpiperazin-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 494.68 |
| Molecular Formula: | C28 H42 N6 O2 |
| Smiles: | CCCCCCC(N1CCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccc(C)c(C)c2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0841 |
| logD: | 2.5826 |
| logSw: | -3.9161 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.556 |
| InChI Key: | FPQTWFHSSODXGL-UHFFFAOYSA-N |