ethyl 4-[8-(4-methoxyphenyl)-2,5,7-trioxo-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-(4-methoxyphenyl)-2,5,7-trioxo-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-(4-methoxyphenyl)-2,5,7-trioxo-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: | 5499-0600 |
| Compound Name: | ethyl 4-[8-(4-methoxyphenyl)-2,5,7-trioxo-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl]benzoate |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C24 H20 N2 O6 S2 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C2C(C3=C(NC(=O)S3)SC2C1=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6703 |
| logD: | 3.6702 |
| logSw: | -4.0295 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.161 |
| InChI Key: | ISLCBIFKGNHYLJ-UHFFFAOYSA-N |