4-[4-(oxane-4-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(oxane-4-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(oxane-4-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0374 |
| Compound Name: | 4-[4-(oxane-4-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C25 H26 F3 N3 O3 |
| Smiles: | C1COCCC1C(N1CCN(CC1COc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9954 |
| logD: | 3.9954 |
| logSw: | -4.2693 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.111 |
| InChI Key: | DBJHRQDOKPFZLL-OAQYLSRUSA-N |