4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(oxane-4-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(oxane-4-carbonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(oxane-4-carbonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5332 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-1-(oxane-4-carbonyl)piperazine-2-carboxamide |
| Molecular Weight: | 450.46 |
| Molecular Formula: | C22 H25 F3 N4 O3 |
| Smiles: | C1COCCC1C(N1CCN(CC1C(NC1CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1585 |
| logD: | 2.1585 |
| logSw: | -2.9235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.401 |
| InChI Key: | RVBITZSLQZXCCC-IBGZPJMESA-N |