3-(azepan-1-yl)-3-imino-2-{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}propanenitrile
Chemical Structure Depiction of
3-(azepan-1-yl)-3-imino-2-{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}propanenitrile
3-(azepan-1-yl)-3-imino-2-{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}propanenitrile
Compound characteristics
| Compound ID: | 8009-3326 |
| Compound Name: | 3-(azepan-1-yl)-3-imino-2-{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}propanenitrile |
| Molecular Weight: | 337.35 |
| Molecular Formula: | C16 H18 F3 N5 |
| Smiles: | C1CCCN(CC1)C(/C(C#N)=N/Nc1cccc(c1)C(F)(F)F)=N |
| Stereo: | ACHIRAL |
| logP: | 4.6899 |
| logD: | 4.3841 |
| logSw: | -4.5483 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.643 |
| InChI Key: | PSGNNTYCJFBNFH-UHFFFAOYSA-N |