4-butanoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-butanoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)piperazine-2-carboxamide
4-butanoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0515 |
| Compound Name: | 4-butanoyl-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)piperazine-2-carboxamide |
| Molecular Weight: | 426.44 |
| Molecular Formula: | C20 H25 F3 N4 O3 |
| Smiles: | CCCC(N1CCN(C(C1)C(NCCOC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1819 |
| logD: | 2.1819 |
| logSw: | -2.9523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.444 |
| InChI Key: | SQCQLXYVHOLJLC-KRWDZBQOSA-N |