(4-{5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
Chemical Structure Depiction of
(4-{5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
(4-{5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V004-9486 |
| Compound Name: | (4-{5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone |
| Molecular Weight: | 465.94 |
| Molecular Formula: | C24 H24 Cl N5 O3 |
| Smiles: | Cc1c(Cc2ccc(cc2)[Cl])c(nc(C)n1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5502 |
| logD: | 4.4613 |
| logSw: | -4.8009 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.951 |
| InChI Key: | ZNDQWPUGQHCZGI-UHFFFAOYSA-N |