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ZINC00063179,EU-0084761,A1342/0060583, N-[4-(4-chlorophenyl)-5-methyl-

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摘 要:ZINC00063179,EU-0084761,A1342/0060583, N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide,Canonical SMILES: CC1=C(N=C(S1)NC(=O)C2=CC=NC=C2)C3=CC=C(C=C3)Cl,InChI: InChI=1/C16H12ClN3OS/c1-10-14(11-2-4-13(17)5-3-11)19-16(22-10)20-15(
[Synonyms]
ZINC00063179
EU-0084761
A1342/0060583

[Structure]
ZINC00063179,EU-0084761,A1342/0060583, N-[4-(4-chlorophenyl)-5-methyl-

[ Properties Computed from Structure]
Molecular Weight329.80398 [g/mol]
Molecular FormulaC16H12ClN3OS
XLogP3.1
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count3
Exact Mass329.03896
MonoIsotopic Mass329.03896
Topological Polar Surface Area54.9
Heavy Atom Count22
Formal Charge0
Complexity384
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-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
Canonical SMILES: CC1=C(N=C(S1)NC(=O)C2=CC=NC=C2)C3=CC=C(C=C3)Cl
InChI: InChI=1/C16H12ClN3OS/c1-10-14(11-2-4-13(17)5-3-11)19-16(22-10)20-15(21)
12-6-8-18-9-7-12/h2-9H,1H3,(H,19,20,21)/f/h20H

 
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