AC1MGTOE

methyl 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

Also Known As: CBKinase1_002441|CBKinase1_014841|SR-01000264178-1|BRD-A31054643-001-01-8|F1346-0039|methyl 2-((5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate|methyl 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|methyl 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate|methyl 2-(5-(2H,3H-benzo[e]1,4-dioxin-2-yl)-4-phenyl-1,2,4-triazol-3-ylthio)ac etate|methyl {[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|methyl {[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetate

Molecular Formula	C19H17N3O4S
Molecular Weight	383.09396 g/mol
LogP	3.0449
Topological Polar Surface Area	75.47 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	383.09396
Monoisotopic Mass	383.09396
Heavy Atoms	27
Complexity	945.13763

Chemical Identifiers

CAS Number	496776-84-2
SMILES	COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3COC4=CC=CC=C4O3