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Oprea1_644503 N-(3-hydroxyphenyl)-2-[5-(4-methoxyphenyl)-1-methylimida

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摘 要:Oprea1_644503 N-(3-hydroxyphenyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl],sulfanylacetamide,Canonical SMILES: CN1C(=CN=C1SCC(=O)NC2=CC(=CC=C2)O)C3=CC=C(C=C3)OC,InChI: InChI=1/C19H19N3O3S/c1-22-17(13-6-8-16(25-2)9-7-13)11-20-19(22)26-12-18,(24)2
[Synonyms]
Oprea1_644503
[Structure]
Oprea1_644503 N-(3-hydroxyphenyl)-2-[5-(4-methoxyphenyl)-1-methylimida

[ Properties Computed from Structure]
Molecular Weight369.43746 [g/mol]
Molecular FormulaC19H19N3O3S
XLogP3
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count13
Exact Mass369.114712
MonoIsotopic Mass369.114712
Topological Polar Surface Area76.4
Heavy Atom Count26
Formal Charge0
Complexity459
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-hydroxyphenyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]
sulfanylacetamide
Canonical SMILES: CN1C(=CN=C1SCC(=O)NC2=CC(=CC=C2)O)C3=CC=C(C=C3)OC
InChI: InChI=1/C19H19N3O3S/c1-22-17(13-6-8-16(25-2)9-7-13)11-20-19(22)26-12-18
(24)21-14-4-3-5-15(23)10-14/h3-11,23H,12H2,1-2H3,(H,21,24)/f/h21H

 
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