4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2,2-dimethylbutanoyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2,2-dimethylbutanoyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2,2-dimethylbutanoyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5461 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(2,2-dimethylbutanoyl)-N-(2-methoxyethyl)piperazine-2-carboxamide |
| Molecular Weight: | 454.49 |
| Molecular Formula: | C22 H29 F3 N4 O3 |
| Smiles: | CCC(C)(C)C(N1CCN(CC1C(NCCOC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0997 |
| logD: | 3.0997 |
| logSw: | -3.2511 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.971 |
| InChI Key: | NRCGVBKGTSLFTR-SFHVURJKSA-N |