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Oprea1_508495,ZINC00881693, 2-[5-(4-methoxyphenyl)-1-methylimidazol-2-

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摘 要:Oprea1_508495,ZINC00881693, 2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,,3-thiazol-2-yl)acetamide,Canonical SMILES: CN1C(=CN=C1SCC(=O)NC2=NC=CS2)C3=CC=C(C=C3)OC,InChI: InChI=1/C16H16N4O2S2/c1-20-13(11-3-5-12(22-2)6-4-11)9-18-16(20)24-1
[Synonyms]
Oprea1_508495
ZINC00881693

[Structure]
Oprea1_508495,ZINC00881693, 2-[5-(4-methoxyphenyl)-1-methylimidazol-2-

[ Properties Computed from Structure]
Molecular Weight360.45384 [g/mol]
Molecular FormulaC16H16N4O2S2
XLogP1.9
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count3
Exact Mass360.071467
MonoIsotopic Mass360.071467
Topological Polar Surface Area69
Heavy Atom Count24
Formal Charge0
Complexity421
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: 2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,
3-thiazol-2-yl)acetamide
Canonical SMILES: CN1C(=CN=C1SCC(=O)NC2=NC=CS2)C3=CC=C(C=C3)OC
InChI: InChI=1/C16H16N4O2S2/c1-20-13(11-3-5-12(22-2)6-4-11)9-18-16(20)24-10-14
(21)19-15-17-7-8-23-15/h3-9H,10H2,1-2H3,(H,17,19,21)/f/h19H

 
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