(2,6,8-trioxo-10-phenyl-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)acetic acid
Chemical Structure Depiction of
(2,6,8-trioxo-10-phenyl-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)acetic acid
(2,6,8-trioxo-10-phenyl-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)acetic acid
Compound characteristics
| Compound ID: | D008-0240 |
| Compound Name: | (2,6,8-trioxo-10-phenyl-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)acetic acid |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C21 H18 N2 O5 S2 |
| Smiles: | C1C2C3C(C4=C(NC(=O)S4)SC3C1C1C2C(N(CC(O)=O)C1=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0742 |
| logD: | -3.2488 |
| logSw: | -2.1647 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.703 |
| InChI Key: | GBYMFODZINXBOP-UHFFFAOYSA-N |