(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(2-methylphenyl)methanone
Chemical Structure Depiction of
(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(2-methylphenyl)methanone
(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(2-methylphenyl)methanone
Compound characteristics
| Compound ID: | V029-0863 |
| Compound Name: | (4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(2-methylphenyl)methanone |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | Cc1ccccc1C(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.41 |
| logD: | 4.321 |
| logSw: | -4.5699 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.951 |
| InChI Key: | IUFPUSREBAXOEE-UHFFFAOYSA-N |