(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V005-2822 |
| Compound Name: | (4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 493.99 |
| Molecular Formula: | C26 H28 Cl N5 O3 |
| Smiles: | CCc1c(Cc2ccc(cc2)[Cl])c(nc(C)n1)N1CCN(CC1)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4859 |
| logD: | 5.3762 |
| logSw: | -5.9796 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.339 |
| InChI Key: | NKSKJONNKORWJP-UHFFFAOYSA-N |