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2-[4-(3,4-dimethoxyphenyl)-1,,3-thiazol-2-yl]-3-(2-ethoxyphenyl)prop-

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摘 要: 2-[4-(3,4-dimethoxyphenyl)-1,,3-thiazol-2-yl]-3-(2-ethoxyphenyl)prop-2-enenitrile,Canonical SMILES: CCOC1=CC=CC=C1C=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC,InChI: InChI=1/C22H20N2O3S/c1-4-27-19-8-6-5-7-16(19)11-17(13-23)22-24-18(14-28-,22)15-9-10-20(25
[Synonyms]

[Structure]
 2-[4-(3,4-dimethoxyphenyl)-1,,3-thiazol-2-yl]-3-(2-ethoxyphenyl)prop-

[ Properties Computed from Structure]
Molecular Weight392.4708 [g/mol]
Molecular FormulaC22H20N2O3S
XLogP4.2
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count7
Exact Mass392.119463
MonoIsotopic Mass392.119463
Topological Polar Surface Area64.4
Heavy Atom Count28
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-1,
3-thiazol-2-yl]-3-(2-ethoxyphenyl)prop-2-enenitrile
Canonical SMILES: CCOC1=CC=CC=C1C=C(C#N)C2=NC(=CS2)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1/C22H20N2O3S/c1-4-27-19-8-6-5-7-16(19)11-17(13-23)22-24-18(14-28-
22)15-9-10-20(25-2)21(12-15)26-3/h5-12,14H,4H2,1-3H3

 
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