3-methyl-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)butan-1-one
Chemical Structure Depiction of
3-methyl-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)butan-1-one
3-methyl-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | V005-4454 |
| Compound Name: | 3-methyl-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)butan-1-one |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C24 H33 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9899 |
| logD: | 4.8553 |
| logSw: | -4.6623 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.082 |
| InChI Key: | CDWIRXTVEOFIBS-UHFFFAOYSA-N |