(4-fluorophenyl)(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
(4-fluorophenyl)(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
(4-fluorophenyl)(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-2396 |
| Compound Name: | (4-fluorophenyl)(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C27 H30 F N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.507 |
| logD: | 5.3363 |
| logSw: | -5.4161 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.329 |
| InChI Key: | LVYKQGDIXSOEKI-UHFFFAOYSA-N |