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ZINC00882020,ASN 03572118,N-Methyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)

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摘 要:ZINC00882020,ASN 03572118,N-Methyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide, N-methyl-2-(phenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide,Canonical SMILES: CN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC3=CC=CC=C3,InChI: InChI=1/C18H16N2O2S/c1-20(17(21)12-22-
[Synonyms]
ZINC00882020
ASN 03572118
N-Methyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide

[Structure]
ZINC00882020,ASN 03572118,N-Methyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)

[ Properties Computed from Structure]
Molecular Weight324.39684 [g/mol]
Molecular FormulaC18H16N2O2S
XLogP3.7
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count5
Exact Mass324.093248
MonoIsotopic Mass324.093248
Topological Polar Surface Area42.4
Heavy Atom Count23
Formal Charge0
Complexity381
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-methyl-2-(phenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Canonical SMILES: CN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC3=CC=CC=C3
InChI: InChI=1/C18H16N2O2S/c1-20(17(21)12-22-15-10-6-3-7-11-15)18-19-16(13-23-
18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3

 
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