4-{2,6,8-trioxo-10-[(E)-2-phenylethenyl]-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl}butanoic acid
Chemical Structure Depiction of
4-{2,6,8-trioxo-10-[(E)-2-phenylethenyl]-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl}butanoic acid
4-{2,6,8-trioxo-10-[(E)-2-phenylethenyl]-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl}butanoic acid
Compound characteristics
| Compound ID: | 6721-1456 |
| Compound Name: | 4-{2,6,8-trioxo-10-[(E)-2-phenylethenyl]-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl}butanoic acid |
| Molecular Weight: | 496.6 |
| Molecular Formula: | C25 H24 N2 O5 S2 |
| Smiles: | C(CC(O)=O)CN1C(C2C3CC(C2C1=O)C1C3C(/C=C/c2ccccc2)C2=C(NC(=O)S2)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6231 |
| logD: | -0.1905 |
| logSw: | -3.1455 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.682 |
| InChI Key: | UAJPZFQBOLUYDE-UHFFFAOYSA-N |