1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)propan-1-one
Chemical Structure Depiction of
1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)propan-1-one
1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | V027-7769 |
| Compound Name: | 1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)propan-1-one |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C24 H33 N5 O3 |
| Smiles: | CCC(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(CC)nc(CC(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2242 |
| logD: | 5.0178 |
| logSw: | -5.0421 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.762 |
| InChI Key: | PXQTYLURCBAMSQ-UHFFFAOYSA-N |