10-(4-tert-butylphenyl)-7-(4-fluorophenyl)-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-(4-tert-butylphenyl)-7-(4-fluorophenyl)-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-(4-tert-butylphenyl)-7-(4-fluorophenyl)-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: | D008-0038 |
| Compound Name: | 10-(4-tert-butylphenyl)-7-(4-fluorophenyl)-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: | 534.67 |
| Molecular Formula: | C29 H27 F N2 O3 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C2C3CC(C4C3C(N(C4=O)c3ccc(cc3)F)=O)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.62 |
| logD: | 5.6199 |
| logSw: | -5.4424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.436 |
| InChI Key: | RHCZVDOMUYJRSY-UHFFFAOYSA-N |