{4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
{4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V009-3040 |
| Compound Name: | {4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(C)nc(c2cccc(C)c2)nc1N1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6256 |
| logD: | 5.4214 |
| logSw: | -5.4366 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.338 |
| InChI Key: | BHDRRBYAUFZGRZ-UHFFFAOYSA-N |