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2-Daapb ,AQ 3178 ,AQ-3178 ,2-(3-(Diallylamino)propionyl)benzothiophene

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:64
摘 要:2-Daapb ,AQ 3178 ,AQ-3178 ,2-(3-(Diallylamino)propionyl)benzothiophene ,Benzothienyl-2-(N,N,-diallylamino)ethyl ketone ,1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-,61508-29-0, 1-(1-benzothiophen-2-yl)-3-(di(prop-2-enyl)amino)propan-1-on
[Synonyms]
2-Daapb
AQ 3178
AQ-3178
2-(3-(Diallylamino)propionyl)benzothiophene
Benzothienyl-2-(N,N,-diallylamino)ethyl ketone
1-Propanone, 1-benzo(b)thien-2-yl-3-(di-2-propenylamino)-
61508-29-0

[Structure]
2-Daapb ,AQ 3178 ,AQ-3178 ,2-(3-(Diallylamino)propionyl)benzothiophene

[ Properties Computed from Structure]
Molecular Weight285.40386 [g/mol]
Molecular FormulaC17H19NOS
XLogP3.1
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count8
Tautomer Count2
Exact Mass285.118735
MonoIsotopic Mass285.118735
Topological Polar Surface Area20.3
Heavy Atom Count20
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-(1-benzothiophen-2-yl)-3-(di(prop-2-enyl)amino)propan-1-one
Canonical SMILES: C=CCN(CCC(=O)C1=CC2=CC=CC=C2S1)CC=C
InChI: InChI=1/C17H19NOS/c1-3-10-18(11-4-2)12-9-15(19)17-13-14-7-5-6-8-16(14)
20-17/h3-8,13H,1-2,9-12H2

 
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