4-[10-(3,4-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-[10-(3,4-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-[10-(3,4-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: | D008-0053 |
| Compound Name: | 4-[10-(3,4-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: | 530.62 |
| Molecular Formula: | C25 H26 N2 O7 S2 |
| Smiles: | COc1ccc(cc1OC)C1C2C3CC(C4C3C(N(CCCC(O)=O)C4=O)=O)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5072 |
| logD: | -1.3063 |
| logSw: | -2.2674 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.942 |
| InChI Key: | OYHUVFMUVOPDKA-UHFFFAOYSA-N |