ethyl ({6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate
ethyl ({6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | A0019161 |
| Compound Name: | ethyl ({6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)acetate |
| Molecular Weight: | 553.6 |
| Molecular Formula: | C23 H18 F3 N3 O4 S3 |
| Smiles: | CCOC(CSC1=NC2=C(C(N1c1ccccc1OC)=O)SC(N2c1cccc(c1)C(F)(F)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8347 |
| logD: | 4.8347 |
| logSw: | -4.5891 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 54.714 |
| InChI Key: | CFIALCIFWPDRSZ-UHFFFAOYSA-N |