1-(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
Chemical Structure Depiction of
1-(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
1-(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
Compound characteristics
| Compound ID: | V001-9915 |
| Compound Name: | 1-(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one |
| Molecular Weight: | 450.67 |
| Molecular Formula: | C28 H42 N4 O |
| Smiles: | CCc1c(Cc2ccc(C)cc2)c(nc(C)n1)N1CCN(CC1)C(CC(C)CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.445 |
| logD: | 6.3354 |
| logSw: | -5.6599 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.002 |
| InChI Key: | YVOJZJMWABBDNV-OAQYLSRUSA-N |