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Oprea1_072219,ZINC00882175,ASN 03572461,N-[2-(3,4-Dimethoxy-phenyl)-et

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摘 要:Oprea1_072219,ZINC00882175,ASN 03572461,N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-N-(4-phenyl-thiazol-2-yl)-propionamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenyl-1,,3-thiazol-2-yl)propanamide,Canonical SMILES: CCC(=O)N(CCC1=CC(=C(C=C1)OC)OC)C2=NC(=CS2)
[Synonyms]
Oprea1_072219
ZINC00882175
ASN 03572461
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-N-(4-phenyl-thiazol-2-yl)-propionamide

[Structure]
Oprea1_072219,ZINC00882175,ASN 03572461,N-[2-(3,4-Dimethoxy-phenyl)-et

[ Properties Computed from Structure]
Molecular Weight396.50256 [g/mol]
Molecular FormulaC22H24N2O3S
XLogP3.9
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count8
Exact Mass396.150763
MonoIsotopic Mass396.150763
Topological Polar Surface Area51.7
Heavy Atom Count28
Formal Charge0
Complexity486
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-phenyl-1,
3-thiazol-2-yl)propanamide
Canonical SMILES: CCC(=O)N(CCC1=CC(=C(C=C1)OC)OC)C2=NC(=CS2)C3=CC=CC=C3
InChI: InChI=1/C22H24N2O3S/c1-4-21(25)24(13-12-16-10-11-19(26-2)20(14-16)27-3)
22-23-18(15-28-22)17-8-6-5-7-9-17/h5-11,14-15H,4,12-13H2,1-3H3

 
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