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Oprea1_445724,Oprea1_706197,ASN 03431453,N-[4-(2,5-Dimethoxy-phenyl)-t

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摘 要:Oprea1_445724,Oprea1_706197,ASN 03431453,N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide, N-[4-(2,5-dimethoxyphenyl)-1,,3-thiazol-2-yl]-2-(phenoxy)-N-(2-phenylethyl)acetamide,Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N
[Synonyms]
Oprea1_445724
Oprea1_706197
ASN 03431453
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide

[Structure]
Oprea1_445724,Oprea1_706197,ASN 03431453,N-[4-(2,5-Dimethoxy-phenyl)-t

[ Properties Computed from Structure]
Molecular Weight474.57134 [g/mol]
Molecular FormulaC27H26N2O4S
XLogP5.4
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count10
Exact Mass474.161328
MonoIsotopic Mass474.161328
Topological Polar Surface Area60.9
Heavy Atom Count34
Formal Charge0
Complexity611
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]-2-(phenoxy)-N-(2-phenylethyl)acetamide
Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CCC3=CC=CC=C3)C(=O)COC4=CC=CC=C4
InChI: InChI=1/C27H26N2O4S/c1-31-22-13-14-25(32-2)23(17-22)24-19-34-27(28-24)29
(16-15-20-9-5-3-6-10-20)26(30)18-33-21-11-7-4-8-12-21/h3-14,17,19H,
15-16,18H2,1-2H3

 
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