({7-oxo-6-phenyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({7-oxo-6-phenyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetonitrile
({7-oxo-6-phenyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | A0018441 |
| Compound Name: | ({7-oxo-6-phenyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 476.52 |
| Molecular Formula: | C20 H11 F3 N4 O S3 |
| Smiles: | C(C#N)SC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1cccc(c1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 4.2312 |
| logD: | 4.2312 |
| logSw: | -4.3903 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 44.718 |
| InChI Key: | VJLZICLNNXJKLE-UHFFFAOYSA-N |