{4-[2-methyl-6-(piperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[2-methyl-6-(piperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
{4-[2-methyl-6-(piperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | D430-0146 |
| Compound Name: | {4-[2-methyl-6-(piperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | Cc1nc(cc(n1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6678 |
| logD: | 3.6409 |
| logSw: | -3.7593 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.092 |
| InChI Key: | ASPAVVGQAISSMU-UHFFFAOYSA-N |