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Oprea1_538375,ZINC00881014,ASN 03431362,N-[4-(2,5-Dimethoxy-phenyl)-th

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摘 要:Oprea1_538375,ZINC00881014,ASN 03431362,N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-ethyl-3-methyl-benzamide, N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-3-methylbenzamide,Canonical SMILES: CCN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3=CC(=CC=C
[Synonyms]
Oprea1_538375
ZINC00881014
ASN 03431362
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-ethyl-3-methyl-benzamide

[Structure]
Oprea1_538375,ZINC00881014,ASN 03431362,N-[4-(2,5-Dimethoxy-phenyl)-th

[ Properties Computed from Structure]
Molecular Weight382.47598 [g/mol]
Molecular FormulaC21H22N2O3S
XLogP4.7
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count6
Exact Mass382.135113
MonoIsotopic Mass382.135113
Topological Polar Surface Area51.7
Heavy Atom Count27
Formal Charge0
Complexity492
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-ethyl-3-methylbenzamide
Canonical SMILES: CCN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3=CC(=CC=C3)C
InChI: InChI=1/C21H22N2O3S/c1-5-23(20(24)15-8-6-7-14(2)11-15)21-22-18(13-27-21)
17-12-16(25-3)9-10-19(17)26-4/h6-13H,5H2,1-4H3

 
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