[2,6,8-trioxo-10-(pyridin-3-yl)-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-(pyridin-3-yl)-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-(pyridin-3-yl)-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: | D008-0239 |
| Compound Name: | [2,6,8-trioxo-10-(pyridin-3-yl)-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: | 443.5 |
| Molecular Formula: | C20 H17 N3 O5 S2 |
| Smiles: | C1C2C3C(C4=C(NC(=O)S4)SC3C1C1C2C(N(CC(O)=O)C1=O)=O)c1cccnc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0885 |
| logD: | -4.4115 |
| logSw: | -1.7474 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.221 |
| InChI Key: | MLQZGIPLWFHGLW-UHFFFAOYSA-N |