AC1NXSD8

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione

Also Known As: 5-(3-(allyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-1H-pyrrol-2(5H)-one|(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione|(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione

Molecular Formula	C31H24FN3O6S2
Molecular Weight	617.1091 g/mol
LogP	5.9318
Topological Polar Surface Area	111.08 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	617.1091
Monoisotopic Mass	617.1091
Heavy Atoms	43
Complexity	1739.5527

Chemical Identifiers

CAS Number	620579-50-2
SMILES	C=CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)F