ethyl 4-[8-(3-hydroxy-4-methoxyphenyl)-5,7-dioxo-2-sulfanylidene-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[8-(3-hydroxy-4-methoxyphenyl)-5,7-dioxo-2-sulfanylidene-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate
ethyl 4-[8-(3-hydroxy-4-methoxyphenyl)-5,7-dioxo-2-sulfanylidene-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate
Compound characteristics
| Compound ID: | D057-0106 |
| Compound Name: | ethyl 4-[8-(3-hydroxy-4-methoxyphenyl)-5,7-dioxo-2-sulfanylidene-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate |
| Molecular Weight: | 528.62 |
| Molecular Formula: | C24 H20 N2 O6 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C2C(C3=C(NC(=S)S3)SC2C1=O)c1ccc(c(c1)O)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6346 |
| logD: | 3.615 |
| logSw: | -3.8356 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.787 |
| InChI Key: | FJGVBAIUYGPTOI-UHFFFAOYSA-N |