(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(furan-2-yl)methanone
Chemical Structure Depiction of
(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(furan-2-yl)methanone
(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(furan-2-yl)methanone
Compound characteristics
| Compound ID: | V029-4951 |
| Compound Name: | (4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(furan-2-yl)methanone |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C25 H29 N5 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9819 |
| logD: | 4.8146 |
| logSw: | -4.6314 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.916 |
| InChI Key: | AEMOYZZBWKTXAM-KRWDZBQOSA-N |