10-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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: | 5915-0607 |
| Compound Name: | 10-(4-methoxyphenyl)-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: | 558.6 |
| Molecular Formula: | C27 H21 F3 N2 O4 S2 |
| Smiles: | COc1ccc(cc1)C1C2C3CC(C4C3C(N(C4=O)c3cccc(c3)C(F)(F)F)=O)C2SC2=C1SC(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6354 |
| logD: | 4.6354 |
| logSw: | -4.5887 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.98 |
| InChI Key: | NSQOUZPPLNSZLX-UHFFFAOYSA-N |