3,3-dimethyl-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)butan-1-one
3,3-dimethyl-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | V004-9453 |
| Compound Name: | 3,3-dimethyl-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl}piperazin-1-yl)butan-1-one |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C28 H33 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(c2ccccc2)n1)N1CCN(CC1)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6235 |
| logD: | 6.5483 |
| logSw: | -5.7858 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.811 |
| InChI Key: | SPGDISJWWYTFEF-UHFFFAOYSA-N |