1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
Chemical Structure Depiction of
1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | V027-7698 |
| Compound Name: | 1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C24 H33 N5 O4 |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(CC(C)C)n1)N1CCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1775 |
| logD: | 3.9711 |
| logSw: | -4.2455 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.186 |
| InChI Key: | MCILTRIALPDQPV-UHFFFAOYSA-N |