4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-fluorophenyl)-N~3~-(2-methoxyethyl)piperazine-1,3-dicarboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-fluorophenyl)-N~3~-(2-methoxyethyl)piperazine-1,3-dicarboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-fluorophenyl)-N~3~-(2-methoxyethyl)piperazine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S951-0460 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N~1~-(2-fluorophenyl)-N~3~-(2-methoxyethyl)piperazine-1,3-dicarboxamide |
| Molecular Weight: | 493.46 |
| Molecular Formula: | C23 H23 F4 N5 O3 |
| Smiles: | COCCNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(Nc1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0131 |
| logD: | 3.0131 |
| logSw: | -3.4637 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.823 |
| InChI Key: | DXYAZEZSNAODDQ-FQEVSTJZSA-N |