10-phenyl-7-[3-(trifluoromethyl)phenyl]-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
10-phenyl-7-[3-(trifluoromethyl)phenyl]-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
10-phenyl-7-[3-(trifluoromethyl)phenyl]-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: | D008-0059 |
| Compound Name: | 10-phenyl-7-[3-(trifluoromethyl)phenyl]-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: | 528.57 |
| Molecular Formula: | C26 H19 F3 N2 O3 S2 |
| Smiles: | C1C2C3C(C4=C(NC(=O)S4)SC3C1C1C2C(N(C1=O)c1cccc(c1)C(F)(F)F)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6573 |
| logD: | 4.6573 |
| logSw: | -4.7691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.436 |
| InChI Key: | PVXIJMZWYIPFAD-UHFFFAOYSA-N |