(4-{5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
(4-{5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
(4-{5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V002-7788 |
| Compound Name: | (4-{5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}piperazin-1-yl)(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C25 H26 F N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1c(Cc2ccccc2F)c(C)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5663 |
| logD: | 4.5375 |
| logSw: | -4.6247 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.65 |
| InChI Key: | KHQVRGALQZUPMD-UHFFFAOYSA-N |