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ZINC00917721,ASN 02255016,AG-690/40753681, N-(2,6-diethylphenyl)-2-[[5

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摘 要:ZINC00917721,ASN 02255016,AG-690/40753681, N-(2,6-diethylphenyl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-1,3,,4-oxadiazol-2-yl]sulfanyl]acetamide,Canonical SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(O2)CNC3=CC=C(C=C3)F,InChI: InChI=1/C21H23FN4O2S/c1-3-
[Synonyms]
ZINC00917721
ASN 02255016
AG-690/40753681

[Structure]
ZINC00917721,ASN 02255016,AG-690/40753681, N-(2,6-diethylphenyl)-2-[[5

[ Properties Computed from Structure]
Molecular Weight414.496323 [g/mol]
Molecular FormulaC21H23FN4O2S
XLogP5.1
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count9
Tautomer Count2
Exact Mass414.152575
MonoIsotopic Mass414.152575
Topological Polar Surface Area80.1
Heavy Atom Count29
Formal Charge0
Complexity495
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-(2,6-diethylphenyl)-2-[[5-[[(4-fluorophenyl)amino]methyl]-1,3,
4-oxadiazol-2-yl]sulfanyl]acetamide
Canonical SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(O2)CNC3=CC=C(C=C3)F
InChI: InChI=1/C21H23FN4O2S/c1-3-14-6-5-7-15(4-2)20(14)24-18(27)13-29-21-26-25-
19(28-21)12-23-17-10-8-16(22)9-11-17/h5-11,23H,3-4,12-13H2,1-2H3,(H,24,
27)/f/h24H

 
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