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ZINC00882005,ASN 03572105,N-Methyl-N-(4-phenyl-thiazol-2-yl)-benzamide

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摘 要:ZINC00882005,ASN 03572105,N-Methyl-N-(4-phenyl-thiazol-2-yl)-benzamide, N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide,Canonical SMILES: CN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3,InChI: InChI=1/C17H14N2OS/c1-19(16(20)14-10-6-3-7-11-14)17-18-15(12-2
[Synonyms]
ZINC00882005
ASN 03572105
N-Methyl-N-(4-phenyl-thiazol-2-yl)-benzamide

[Structure]
ZINC00882005,ASN 03572105,N-Methyl-N-(4-phenyl-thiazol-2-yl)-benzamide

[ Properties Computed from Structure]
Molecular Weight294.37086 [g/mol]
Molecular FormulaC17H14N2OS
XLogP4
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count3
Exact Mass294.082684
MonoIsotopic Mass294.082684
Topological Polar Surface Area33.2
Heavy Atom Count21
Formal Charge0
Complexity351
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-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES: CN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1/C17H14N2OS/c1-19(16(20)14-10-6-3-7-11-14)17-18-15(12-21-17)13-8-
4-2-5-9-13/h2-12H,1H3

 
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