1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
Chemical Structure Depiction of
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
Compound characteristics
| Compound ID: | V007-1732 |
| Compound Name: | 1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one |
| Molecular Weight: | 467.61 |
| Molecular Formula: | C26 H37 N5 O3 |
| Smiles: | CC(CC(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C)n1)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4139 |
| logD: | 5.325 |
| logSw: | -5.3693 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.695 |
| InChI Key: | DJFKUHPHIXCMCP-GOSISDBHSA-N |