4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)-N~1~,N~1~-dimethylpiperazine-1,3-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)-N~1~,N~1~-dimethylpiperazine-1,3-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)-N~1~,N~1~-dimethylpiperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0512 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~3~-(2-methoxyethyl)-N~1~,N~1~-dimethylpiperazine-1,3-dicarboxamide |
| Molecular Weight: | 427.43 |
| Molecular Formula: | C19 H24 F3 N5 O3 |
| Smiles: | CN(C)C(N1CCN(C(C1)C(NCCOC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4755 |
| logD: | 1.4755 |
| logSw: | -2.32 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.858 |
| InChI Key: | IMAKKZFRAOSXSH-INIZCTEOSA-N |