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Oprea1_089461,Oprea1_271565,ZINC00920497,ASN 04359850, N-(4-acetamidop

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摘 要:Oprea1_089461,Oprea1_271565,ZINC00920497,ASN 04359850, N-(4-acetamidophenyl)-2-[[4-(4-fluorophenyl)-3H-imidazol-2-yl]sulfanyl],acetamide,Canonical SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)F,InChI: InChI=1/C19H17FN4O2S/c1-12(25)22-1
[Synonyms]
Oprea1_089461
Oprea1_271565
ZINC00920497
ASN 04359850

[Structure]
Oprea1_089461,Oprea1_271565,ZINC00920497,ASN 04359850, N-(4-acetamidop

[ Properties Computed from Structure]
Molecular Weight384.427283 [g/mol]
Molecular FormulaC19H17FN4O2S
XLogP2.1
H-Bond Donor3
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count8
Exact Mass384.105625
MonoIsotopic Mass384.105625
Topological Polar Surface Area86.9
Heavy Atom Count27
Formal Charge0
Complexity508
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-acetamidophenyl)-2-[[4-(4-fluorophenyl)-3H-imidazol-2-yl]sulfanyl]
acetamide
Canonical SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)F
InChI: InChI=1/C19H17FN4O2S/c1-12(25)22-15-6-8-16(9-7-15)23-18(26)11-27-19-21-
10-17(24-19)13-2-4-14(20)5-3-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25)(H,23,
26)/f/h22-24H

 
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