3-[10-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | D008-0166 |
| Compound Name: | 3-[10-(4-chlorophenyl)-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: | 490.98 |
| Molecular Formula: | C22 H19 Cl N2 O5 S2 |
| Smiles: | C(CN1C(C2C3CC(C2C1=O)C1C3C(C2=C(NC(=O)S2)S1)c1ccc(cc1)[Cl])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0811 |
| logD: | -0.4515 |
| logSw: | -3.1324 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.682 |
| InChI Key: | MATJXMNZTLPUPO-UHFFFAOYSA-N |