N-phenyl-2-[(10RS)-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]acetamide
Chemical Structure Depiction of
N-phenyl-2-[(10RS)-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]acetamide
N-phenyl-2-[(10RS)-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]acetamide
Compound characteristics
| Compound ID: | D426-0001 |
| Compound Name: | N-phenyl-2-[(10RS)-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]acetamide |
| Molecular Weight: | 517.63 |
| Molecular Formula: | C27 H23 N3 O4 S2 |
| Smiles: | [H][C@]1(C2C3CC(C4C3C(N(CC(Nc3ccccc3)=O)C4=O)=O)C2SC2=C1SC(N2)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4514 |
| logD: | 3.4514 |
| logSw: | -3.7871 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.197 |
| InChI Key: | SHFMNAWLQKWCPP-DOPFADSOSA-N |