4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3-methoxypropyl)-N~2~,N~2~-dimethylpiperazine-1,2-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3-methoxypropyl)-N~2~,N~2~-dimethylpiperazine-1,2-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3-methoxypropyl)-N~2~,N~2~-dimethylpiperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5660 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3-methoxypropyl)-N~2~,N~2~-dimethylpiperazine-1,2-dicarboxamide |
| Molecular Weight: | 441.45 |
| Molecular Formula: | C20 H26 F3 N5 O3 |
| Smiles: | CN(C)C(C1CN(CCN1C(NCCCOC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4566 |
| logD: | 1.4566 |
| logSw: | -2.298 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.43 |
| InChI Key: | KAPMALVNICOUNS-KRWDZBQOSA-N |