{4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
{4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V008-0568 |
| Compound Name: | {4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C26 H29 N5 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(C)nc(c2cccc(C)c2)nc1N1CCN(CC1)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.964 |
| logD: | 5.7599 |
| logSw: | -5.428 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.037 |
| InChI Key: | PHHCVOSVBQVKTB-UHFFFAOYSA-N |