(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(furan-2-yl)methanone
Chemical Structure Depiction of
(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(furan-2-yl)methanone
(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(furan-2-yl)methanone
Compound characteristics
| Compound ID: | V027-7685 |
| Compound Name: | (4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(furan-2-yl)methanone |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C26 H31 N5 O4 |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(CC(C)C)n1)N1CCN(CC1)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4291 |
| logD: | 5.2227 |
| logSw: | -5.3373 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.596 |
| InChI Key: | YQRVRGFUEVRFAM-UHFFFAOYSA-N |