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Oprea1_200106,Oprea1_624324, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,

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摘 要:Oprea1_200106,Oprea1_624324, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,5-dimethoxyphenyl)-1,,3-thiazol-2-yl]acetamide,Canonical SMILES: CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)C2=NC(=CS2)C3=C(C=CC(=C3)OC)OC,InChI: InChI=1/C23H26N2O5S/c1-15(26)25(11-10-16-6-8-21
[Synonyms]
Oprea1_200106
Oprea1_624324

[Structure]
Oprea1_200106,Oprea1_624324, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,

[ Properties Computed from Structure]
Molecular Weight442.52794 [g/mol]
Molecular FormulaC23H26N2O5S
XLogP3.5
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count9
Exact Mass442.156243
MonoIsotopic Mass442.156243
Topological Polar Surface Area70.1
Heavy Atom Count31
Formal Charge0
Complexity568
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: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,5-dimethoxyphenyl)-1,
3-thiazol-2-yl]acetamide
Canonical SMILES: CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)C2=NC(=CS2)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1/C23H26N2O5S/c1-15(26)25(11-10-16-6-8-21(29-4)22(12-16)30-5)23-
24-19(14-31-23)18-13-17(27-2)7-9-20(18)28-3/h6-9,12-14H,10-11H2,1-5H3

 
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