6-(4-bromophenyl)-8-(3-hydroxy-4-methoxyphenyl)-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
6-(4-bromophenyl)-8-(3-hydroxy-4-methoxyphenyl)-2-sulfanylidene-3,4a,7a,8-tetrahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazole-5,7(2H,6H)-dione
6-(4-bromophenyl)-8-(3-hydroxy-4-methoxyphenyl)-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: | D057-0102 |
| Compound Name: | 6-(4-bromophenyl)-8-(3-hydroxy-4-methoxyphenyl)-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: | 535.46 |
| Molecular Formula: | C21 H15 Br N2 O4 S3 |
| Smiles: | COc1ccc(cc1O)C1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)SC2=C1SC(N2)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8671 |
| logD: | 3.8475 |
| logSw: | -3.8302 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.034 |
| InChI Key: | CKEWFYQRXXPPMM-UHFFFAOYSA-N |