(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
Chemical Structure Depiction of
(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V005-2811 |
| Compound Name: | (4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone |
| Molecular Weight: | 479.97 |
| Molecular Formula: | C25 H26 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(cc2)[Cl])c(nc(C)n1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0836 |
| logD: | 4.9739 |
| logSw: | -5.4883 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.64 |
| InChI Key: | QIARXMFHRUHEQW-UHFFFAOYSA-N |