4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~,N~3~-bis(2-methoxyethyl)piperazine-1,3-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~,N~3~-bis(2-methoxyethyl)piperazine-1,3-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~,N~3~-bis(2-methoxyethyl)piperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0529 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~,N~3~-bis(2-methoxyethyl)piperazine-1,3-dicarboxamide |
| Molecular Weight: | 457.45 |
| Molecular Formula: | C20 H26 F3 N5 O4 |
| Smiles: | COCCNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(NCCOC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4403 |
| logD: | 1.4403 |
| logSw: | -2.2987 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.298 |
| InChI Key: | MWFCRKBZDYHHKQ-KRWDZBQOSA-N |