(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
(4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V005-3011 |
| Compound Name: | (4-{6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 521.62 |
| Molecular Formula: | C31 H31 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(Cc2c(C)nc(c3ccccc3)nc2N2CCN(CC2)C(c2ccc(C)c(c2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.1774 |
| logD: | 7.1022 |
| logSw: | -5.7315 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.766 |
| InChI Key: | GMLDEAYJUUOLAT-UHFFFAOYSA-N |