AC1NXPWD

(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione

Also Known As: 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-5-(3-ethoxy-4-(isopentyloxy)phenyl)-3-hydroxy-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one|(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione|(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione

Molecular Formula	C36H37N3O7S2
Molecular Weight	687.2073 g/mol
LogP	7.35992
Topological Polar Surface Area	120.31 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	687.2073
Monoisotopic Mass	687.2073
Heavy Atoms	48
Complexity	1837.4968

Chemical Identifiers

CAS Number	620575-44-2
SMILES	CCOC1=C(C=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)C)OCCC(C)C