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Oprea1_861758 N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-1-methylimida

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摘 要:Oprea1_861758 N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl],sulfanylacetamide,Canonical SMILES: CN1C(=CN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC=C(C=C3)OC,InChI: InChI=1/C20H21N3O3S/c1-23-18(14-7-9-16(25-2)10-8-14)12-21-20(23)27-13-19,(24
[Synonyms]
Oprea1_861758
[Structure]
Oprea1_861758 N-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-1-methylimida

[ Properties Computed from Structure]
Molecular Weight383.46404 [g/mol]
Molecular FormulaC20H21N3O3S
XLogP3.3
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count7
Tautomer Count2
Exact Mass383.130362
MonoIsotopic Mass383.130362
Topological Polar Surface Area65.4
Heavy Atom Count27
Formal Charge0
Complexity473
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-(3-methoxyphenyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]
sulfanylacetamide
Canonical SMILES: CN1C(=CN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC=C(C=C3)OC
InChI: InChI=1/C20H21N3O3S/c1-23-18(14-7-9-16(25-2)10-8-14)12-21-20(23)27-13-19
(24)22-15-5-4-6-17(11-15)26-3/h4-12H,13H2,1-3H3,(H,22,24)/f/h22H

 
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