2,6-diamino-4-[4-(trifluoromethyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-[4-(trifluoromethyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-[4-(trifluoromethyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8626 |
| Compound Name: | 2,6-diamino-4-[4-(trifluoromethyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 322.31 |
| Molecular Formula: | C14 H9 F3 N4 S |
| Smiles: | C(C1C(C(C#N)=C(N)SC=1N)c1ccc(cc1)C(F)(F)F)#N |
| Stereo: | ACHIRAL |
| logP: | 2.3639 |
| logD: | 2.3639 |
| logSw: | -2.3876 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 74.422 |
| InChI Key: | TWDXZPPSGUPSLF-UHFFFAOYSA-N |