8-(3-hydroxy-4-methoxyphenyl)-6-(4-methylphenyl)-2-sulfanylidene-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-hydroxy-4-methoxyphenyl)-6-(4-methylphenyl)-2-sulfanylidene-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-5,7(2H,6H)-dione
8-(3-hydroxy-4-methoxyphenyl)-6-(4-methylphenyl)-2-sulfanylidene-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: | D057-0165 |
| Compound Name: | 8-(3-hydroxy-4-methoxyphenyl)-6-(4-methylphenyl)-2-sulfanylidene-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-5,7(2H,6H)-dione |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C22 H18 N2 O4 S3 |
| Smiles: | Cc1ccc(cc1)N1C(C2C(C3=C(NC(=S)S3)SC2C1=O)c1ccc(c(c1)O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4566 |
| logD: | 3.437 |
| logSw: | -3.6161 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.034 |
| InChI Key: | QEEHGGRIFOAGIG-UHFFFAOYSA-N |