2-[(10RS)-10-[4-(dimethylamino)phenyl]-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]-3-methylbutanoic acid
Chemical Structure Depiction of
2-[(10RS)-10-[4-(dimethylamino)phenyl]-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]-3-methylbutanoic acid
2-[(10RS)-10-[4-(dimethylamino)phenyl]-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]-3-methylbutanoic acid
Compound characteristics
Compound ID: | D426-1289 |
Compound Name: | 2-[(10RS)-10-[4-(dimethylamino)phenyl]-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]-3-methylbutanoic acid |
Molecular Weight: | 527.66 |
Molecular Formula: | C26 H29 N3 O5 S2 |
Smiles: | [H][C@]1(C2C3CC(C4C3C(N(C(C(C)C)C(O)=O)C4=O)=O)C2SC2=C1SC(N2)=O)c1ccc(cc1)N(C)C |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.8324 |
logD: | -1.1915 |
logSw: | -3.4229 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.493 |
InChI Key: | DOHQHOWTYQATKV-BBTFNWHDSA-N |