cyclopropyl(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
cyclopropyl(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
cyclopropyl(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-7686 |
| Compound Name: | cyclopropyl(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C25 H33 N5 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(CC(C)C)n1)N1CCN(CC1)C(C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4525 |
| logD: | 5.2461 |
| logSw: | -5.3191 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.541 |
| InChI Key: | KCOBHDQOAZMCOC-UHFFFAOYSA-N |