6-{[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl}-2-(4-octanoylpiperazin-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl}-2-(4-octanoylpiperazin-1-yl)pyrimidin-4(3H)-one
6-{[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl}-2-(4-octanoylpiperazin-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-6755 |
| Compound Name: | 6-{[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl}-2-(4-octanoylpiperazin-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 508.71 |
| Molecular Formula: | C29 H44 N6 O2 |
| Smiles: | CCCCCCCC(N1CCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccc(C)c(C)c2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.58 |
| logD: | 3.0785 |
| logSw: | -4.2916 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.556 |
| InChI Key: | GOCNZOWKQYULMB-UHFFFAOYSA-N |