4-[(10RS)-10-(4-hydroxy-3,5-dimethoxyphenyl)-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]butanoic acid
Chemical Structure Depiction of
4-[(10RS)-10-(4-hydroxy-3,5-dimethoxyphenyl)-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]butanoic acid
4-[(10RS)-10-(4-hydroxy-3,5-dimethoxyphenyl)-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]butanoic acid
Compound characteristics
| Compound ID: | D426-1117 |
| Compound Name: | 4-[(10RS)-10-(4-hydroxy-3,5-dimethoxyphenyl)-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]butanoic acid |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C25 H26 N2 O8 S2 |
| Smiles: | [H][C@]1(C2C3CC(C4C3C(N(CCCC(O)=O)C4=O)=O)C2SC2=C1SC(N2)=O)c1cc(c(c(c1)OC)O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8104 |
| logD: | -2.0032 |
| logSw: | -2.1677 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.422 |
| InChI Key: | QCROTELSISKDDD-RWXMFBBISA-N |