7-(4-methylphenyl)-10-(pyridin-3-yl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
Chemical Structure Depiction of
7-(4-methylphenyl)-10-(pyridin-3-yl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
7-(4-methylphenyl)-10-(pyridin-3-yl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
Compound characteristics
| Compound ID: | D008-0200 |
| Compound Name: | 7-(4-methylphenyl)-10-(pyridin-3-yl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C25 H21 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)N1C(C2C3CC(C2C1=O)C1C3C(C2=C(NC(=O)S2)S1)c1cccnc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0614 |
| logD: | 3.0614 |
| logSw: | -3.2057 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.954 |
| InChI Key: | TVTGEORQWNVVGJ-UHFFFAOYSA-N |