6-[10-(4-hydroxy-3-methoxyphenyl)-2,6,8-trioxo-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]hexanoic acid
Chemical Structure Depiction of
6-[10-(4-hydroxy-3-methoxyphenyl)-2,6,8-trioxo-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]hexanoic acid
6-[10-(4-hydroxy-3-methoxyphenyl)-2,6,8-trioxo-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]hexanoic acid
Compound characteristics
| Compound ID: | D008-0010 |
| Compound Name: | 6-[10-(4-hydroxy-3-methoxyphenyl)-2,6,8-trioxo-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]hexanoic acid |
| Molecular Weight: | 544.65 |
| Molecular Formula: | C26 H28 N2 O7 S2 |
| Smiles: | COc1cc(ccc1O)C1C2C3CC(C4C3C(N(CCCCCC(O)=O)C4=O)=O)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1005 |
| logD: | -0.7277 |
| logSw: | -2.891 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.86 |
| InChI Key: | AZTMICGQYOXXIX-UHFFFAOYSA-N |