7-(4-methylphenyl)-10-(thiophen-2-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-(thiophen-2-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-(thiophen-2-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: | D008-0190 |
| Compound Name: | 7-(4-methylphenyl)-10-(thiophen-2-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: | 480.63 |
| Molecular Formula: | C24 H20 N2 O3 S3 |
| Smiles: | Cc1ccc(cc1)N1C(C2C3CC(C2C1=O)C1C3C(C2=C(NC(=O)S2)S1)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8494 |
| logD: | 3.8493 |
| logSw: | -3.9726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.455 |
| InChI Key: | UCNBVVAYWYZUQQ-UHFFFAOYSA-N |