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Oprea1_001581 N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylbenz

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摘 要:Oprea1_001581 N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylbenzamide,Canonical SMILES: CCN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3=CC=CC=C3,InChI: InChI=1/C20H20N2O3S/c1-4-22(19(23)14-8-6-5-7-9-14)20-21-17(13-26-20)16-,12-15(24-2)10-11-18(16)25
[Synonyms]
Oprea1_001581
[Structure]
Oprea1_001581 N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylbenz

[ Properties Computed from Structure]
Molecular Weight368.4494 [g/mol]
Molecular FormulaC20H20N2O3S
XLogP4.2
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count6
Exact Mass368.119463
MonoIsotopic Mass368.119463
Topological Polar Surface Area51.7
Heavy Atom Count26
Formal Charge0
Complexity458
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-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylbenzamide
Canonical SMILES: CCN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3=CC=CC=C3
InChI: InChI=1/C20H20N2O3S/c1-4-22(19(23)14-8-6-5-7-9-14)20-21-17(13-26-20)16-
12-15(24-2)10-11-18(16)25-3/h5-13H,4H2,1-3H3

 
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