6-amino-8-[2-(trifluoromethyl)phenyl]-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
Chemical Structure Depiction of
6-amino-8-[2-(trifluoromethyl)phenyl]-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
6-amino-8-[2-(trifluoromethyl)phenyl]-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8003-4560 |
| Compound Name: | 6-amino-8-[2-(trifluoromethyl)phenyl]-8,8a-dihydro-1H-2-benzothiopyran-5,7,7(3H)-tricarbonitrile |
| Molecular Weight: | 386.4 |
| Molecular Formula: | C19 H13 F3 N4 S |
| Smiles: | C1C=C2C(CS1)C(c1ccccc1C(F)(F)F)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7469 |
| logD: | 3.7468 |
| logSw: | -4.412 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.355 |
| InChI Key: | UAPYAUOPIUSTSK-UHFFFAOYSA-N |