(4-{5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
(4-{5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
(4-{5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V004-9426 |
| Compound Name: | (4-{5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 479.97 |
| Molecular Formula: | C25 H26 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1c(Cc2ccc(cc2)[Cl])c(C)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9525 |
| logD: | 4.8636 |
| logSw: | -5.2015 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.65 |
| InChI Key: | JTBWZHGJUSERNK-UHFFFAOYSA-N |