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ZINC00917160,ASN 02240847, N-(2,3-dimethylphenyl)-2-[[5-[[(4-fluorophe

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摘 要:ZINC00917160,ASN 02240847, N-(2,3-dimethylphenyl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-1,3,,4-oxadiazol-2-yl]sulfanyl]acetamide,Canonical SMILES: CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)CNC3=CC=C(C=C3)F)C,InChI: InChI=1/C19H19FN4O2S/c1-12-4-3-5-16(13(12)2
[Synonyms]
ZINC00917160
ASN 02240847

[Structure]
ZINC00917160,ASN 02240847, N-(2,3-dimethylphenyl)-2-[[5-[[(4-fluorophe

[ Properties Computed from Structure]
Molecular Weight386.443163 [g/mol]
Molecular FormulaC19H19FN4O2S
XLogP4.4
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count2
Exact Mass386.121275
MonoIsotopic Mass386.121275
Topological Polar Surface Area80.1
Heavy Atom Count27
Formal Charge0
Complexity479
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-(2,3-dimethylphenyl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-1,3,
4-oxadiazol-2-yl]sulfanyl]acetamide
Canonical SMILES: CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(O2)CNC3=CC=C(C=C3)F)C
InChI: InChI=1/C19H19FN4O2S/c1-12-4-3-5-16(13(12)2)22-17(25)11-27-19-24-23-18
(26-19)10-21-15-8-6-14(20)7-9-15/h3-9,21H,10-11H2,1-2H3,(H,22,25)/f/h22H

 
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