AC1NXOZ3 structure

AC1NXOZ3

(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione

Also Known As: 5-(3-(benzyloxy)phenyl)-1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1H-pyrrol-2(5H)-one|(4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione|(4E)-5-[3-(benzyloxy)phenyl]-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione

CAS: 620573-85-5
Molecular Formula C35H27N3O6S2
Molecular Weight 649.13416 g/mol
LogP 6.8069
Topological Polar Surface Area 111.08 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 10
Rotatable Bonds 9
Exact Mass 649.13416
Monoisotopic Mass 649.13416
Heavy Atoms 46
Complexity 1929.3937

Chemical Identifiers

CAS Number 620573-85-5
SMILES C1COC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5)C6=CC(=CC=C6)OCC7=CC=CC=C7)/O

Product Overview

AC1NXOZ3 (CAS 620573-85-5), with molecular formula C35H27N3O6S2 and molecular weight 649.13416 g/mol. IUPAC: (4E)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione.

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