2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F092-0388 |
| Compound Name: | 2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C20 H13 F3 N4 O2 S3 |
| Smiles: | C(C(Nc1ccccc1C(F)(F)F)=O)SC1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.68 |
| logD: | 3.6784 |
| logSw: | -4.2147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.748 |
| InChI Key: | HMHLUBSTFMDSQZ-UHFFFAOYSA-N |