6-{[benzyl(ethyl)amino]methyl}-2-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[benzyl(ethyl)amino]methyl}-2-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-{[benzyl(ethyl)amino]methyl}-2-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V017-8871 |
| Compound Name: | 6-{[benzyl(ethyl)amino]methyl}-2-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 465.98 |
| Molecular Formula: | C25 H28 Cl N5 O2 |
| Smiles: | CCN(CC1=CC(NC(=N1)N1CCN(CC1)C(c1cccc(c1)[Cl])=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9839 |
| logD: | 0.3141 |
| logSw: | -3.5106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.255 |
| InChI Key: | DQCDHAFMBLLQLP-UHFFFAOYSA-N |