4-(6-oxo-4-{[4-(2-phenylethyl)piperazin-1-yl]methyl}-1,6-dihydropyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-(6-oxo-4-{[4-(2-phenylethyl)piperazin-1-yl]methyl}-1,6-dihydropyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
4-(6-oxo-4-{[4-(2-phenylethyl)piperazin-1-yl]methyl}-1,6-dihydropyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V023-2831 |
| Compound Name: | 4-(6-oxo-4-{[4-(2-phenylethyl)piperazin-1-yl]methyl}-1,6-dihydropyrimidin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 569.63 |
| Molecular Formula: | C29 H34 F3 N7 O2 |
| Smiles: | C(CN1CCN(CC1)CC1=CC(NC(=N1)N1CCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2849 |
| logD: | 1.6038 |
| logSw: | -3.5698 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.891 |
| InChI Key: | QKYLTPJMTZLPDL-UHFFFAOYSA-N |