(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(4-fluorophenyl)methanone
Chemical Structure Depiction of
(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(4-fluorophenyl)methanone
(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(4-fluorophenyl)methanone
Compound characteristics
| Compound ID: | V030-1721 |
| Compound Name: | (4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(4-fluorophenyl)methanone |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C27 H30 F N5 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5941 |
| logD: | 5.4267 |
| logSw: | -5.4092 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.338 |
| InChI Key: | CEVUPOXUIMDALX-SFHVURJKSA-N |