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Oprea1_771941,MLS000526470,ZINC00881666,ASN 03435919,SMR000116944,2-[5

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摘 要:Oprea1_771941,MLS000526470,ZINC00881666,ASN 03435919,SMR000116944,2-[5-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide, 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-,(furan-2-ylmethyl
[Synonyms]
Oprea1_771941
MLS000526470
ZINC00881666
ASN 03435919
SMR000116944
2-[5-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide

[Structure]
Oprea1_771941,MLS000526470,ZINC00881666,ASN 03435919,SMR000116944,2-[5

[ Properties Computed from Structure]
Molecular Weight437.486603 [g/mol]
Molecular FormulaC23H20FN3O3S
XLogP3.9
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count8
Tautomer Count2
Exact Mass437.12094
MonoIsotopic Mass437.12094
Topological Polar Surface Area69.3
Heavy Atom Count31
Formal Charge0
Complexity570
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-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-
(furan-2-ylmethyl)acetamide
Canonical SMILES: COC1=CC=C(C=C1)N2C(=CN=C2SCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)F
InChI: InChI=1/C23H20FN3O3S/c1-29-19-10-8-18(9-11-19)27-21(16-4-6-17(24)7-5-16)
14-26-23(27)31-15-22(28)25-13-20-3-2-12-30-20/h2-12,14H,13,15H2,1H3,(H,
25,28)/f/h25H

 
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