8-(3,4-dimethoxyphenyl)-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-5,7(2H,6H)-dione
Chemical Structure Depiction of
8-(3,4-dimethoxyphenyl)-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-5,7(2H,6H)-dione
8-(3,4-dimethoxyphenyl)-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-5,7(2H,6H)-dione
Compound characteristics
| Compound ID: | D057-0097 |
| Compound Name: | 8-(3,4-dimethoxyphenyl)-2-sulfanylidene-6-[3-(trifluoromethyl)phenyl]-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-5,7(2H,6H)-dione |
| Molecular Weight: | 538.59 |
| Molecular Formula: | C23 H17 F3 N2 O4 S3 |
| Smiles: | COc1ccc(cc1OC)C1C2C(C(N(C2=O)c2cccc(c2)C(F)(F)F)=O)SC2=C1SC(N2)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.144 |
| logD: | 4.1244 |
| logSw: | -4.5538 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.116 |
| InChI Key: | IWEYTZRMIRWRJW-UHFFFAOYSA-N |