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
Available: 148 mg
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mg
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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
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