(4-{2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
Chemical Structure Depiction of
(4-{2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
(4-{2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V008-5047 |
| Compound Name: | (4-{2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | Cc1cccc(Cc2c(C)nc(C)nc2N2CCN(CC2)C(c2cccc(c2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6477 |
| logD: | 4.5587 |
| logSw: | -4.6307 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.951 |
| InChI Key: | CEVHGOQSSBFXCW-UHFFFAOYSA-N |