3-[(10RS)-10-(furan-2-yl)-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]propanoic acid
Chemical Structure Depiction of
3-[(10RS)-10-(furan-2-yl)-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]propanoic acid
3-[(10RS)-10-(furan-2-yl)-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]propanoic acid
Compound characteristics
| Compound ID: | D426-1078 |
| Compound Name: | 3-[(10RS)-10-(furan-2-yl)-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]propanoic acid |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C20 H18 N2 O6 S2 |
| Smiles: | [H][C@]1(C2C3CC(C4C3C(N(CCC(O)=O)C4=O)=O)C2SC2=C1SC(N2)=O)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6927 |
| logD: | -1.8399 |
| logSw: | -2.0178 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.26 |
| InChI Key: | IOYLOAKNPVOCST-KLLQNBIVSA-N |