4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3,4-dimethoxyphenyl)piperazine-1,2-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3,4-dimethoxyphenyl)piperazine-1,2-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3,4-dimethoxyphenyl)piperazine-1,2-dicarboxamide
Compound characteristics
| Compound ID: | S951-5071 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(3,4-dimethoxyphenyl)piperazine-1,2-dicarboxamide |
| Molecular Weight: | 477.44 |
| Molecular Formula: | C22 H22 F3 N5 O4 |
| Smiles: | COc1ccc(cc1OC)NC(N1CCN(CC1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7923 |
| logD: | 1.7923 |
| logSw: | -2.6213 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.971 |
| InChI Key: | OMLXWSQHILCTEQ-KRWDZBQOSA-N |