AC1O1U85

ethyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Also Known As: ethyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate|ethyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|ethyl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

Molecular Formula	C33H36N2O9S
Molecular Weight	636.2142 g/mol
LogP	5.84932
Topological Polar Surface Area	133.72 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	636.2142
Monoisotopic Mass	636.2142
Heavy Atoms	45
Complexity	1644.7117

Chemical Identifiers

CAS Number	620563-29-3
SMILES	CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C)OCCC(C)C