4-{4-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]-2-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]-2-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{4-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]-2-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5238 |
| Compound Name: | 4-{4-[(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)acetyl]-2-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 463.46 |
| Molecular Formula: | C22 H24 F3 N5 O3 |
| Smiles: | CC1=CC(C)=NC(N1CC(N1CCN(C(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.969 |
| logD: | 1.969 |
| logSw: | -2.7895 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.144 |
| InChI Key: | HATIHXORORWUSZ-GOSISDBHSA-N |