4-(4-{[benzyl(ethyl)amino]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(3-chlorophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-(4-{[benzyl(ethyl)amino]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(3-chlorophenyl)piperazine-1-carboxamide
4-(4-{[benzyl(ethyl)amino]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(3-chlorophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V028-6266 |
| Compound Name: | 4-(4-{[benzyl(ethyl)amino]methyl}-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(3-chlorophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 481 |
| Molecular Formula: | C25 H29 Cl N6 O2 |
| Smiles: | CCN(CC1=CC(NC(=N1)N1CCN(CC1)C(Nc1cccc(c1)[Cl])=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5191 |
| logD: | 0.8493 |
| logSw: | -3.6479 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.076 |
| InChI Key: | BJGTUMZEALGUDG-UHFFFAOYSA-N |