ethyl 2-{2,5,7-trioxo-8-[(E)-2-phenylethenyl]-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 2-{2,5,7-trioxo-8-[(E)-2-phenylethenyl]-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl}benzoate
ethyl 2-{2,5,7-trioxo-8-[(E)-2-phenylethenyl]-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: | 5194-0529 |
| Compound Name: | ethyl 2-{2,5,7-trioxo-8-[(E)-2-phenylethenyl]-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl}benzoate |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C25 H20 N2 O5 S2 |
| Smiles: | CCOC(c1ccccc1N1C(C2C(/C=C/c3ccccc3)C3=C(NC(=O)S3)SC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4625 |
| logD: | 4.4621 |
| logSw: | -4.3626 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.316 |
| InChI Key: | ACHCBYBCHFOCKE-OUKQBFOZSA-N |