(10RS)-10-[4-(diethylamino)phenyl]-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
(10RS)-10-[4-(diethylamino)phenyl]-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
(10RS)-10-[4-(diethylamino)phenyl]-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: | D426-0890 |
Compound Name: | (10RS)-10-[4-(diethylamino)phenyl]-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: | 549.69 |
Molecular Formula: | C29 H28 F N3 O3 S2 |
Smiles: | [H][C@]1(C2C3CC(C4C3C(N(C4=O)c3ccc(cc3)F)=O)C2SC2=C1SC(N2)=O)c1ccc(cc1)N(CC)CC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.636 |
logD: | 4.5833 |
logSw: | -4.4275 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.173 |
InChI Key: | CTIMUFYPHZCUTC-CFSYAFJTSA-N |