3-[10-(4-tert-butylphenyl)-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-[10-(4-tert-butylphenyl)-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-[10-(4-tert-butylphenyl)-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: | D008-0100 |
| Compound Name: | 3-[10-(4-tert-butylphenyl)-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: | 512.65 |
| Molecular Formula: | C26 H28 N2 O5 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C2C3CC(C4C3C(N(CCC(O)=O)C4=O)=O)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2808 |
| logD: | 0.7482 |
| logSw: | -3.4366 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.682 |
| InChI Key: | BEBVCKBJFBLMJS-UHFFFAOYSA-N |