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Oprea1_615644,ZINC01516401,T5393622, N-[4-(3,4-difluorophenyl)-1,3-thi

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摘 要:Oprea1_615644,ZINC01516401,T5393622, N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide,Canonical SMILES: COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F)OC,InChI: InChI=1/C18H14F2N2O3S/c1-24-12-5-11(6-13(8-12)25-2)17(23)22-18-21-1
[Synonyms]
Oprea1_615644
ZINC01516401
T5393622

[Structure]
Oprea1_615644,ZINC01516401,T5393622, N-[4-(3,4-difluorophenyl)-1,3-thi

[ Properties Computed from Structure]
Molecular Weight376.377166 [g/mol]
Molecular FormulaC18H14F2N2O3S
XLogP4
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count5
Tautomer Count3
Exact Mass376.069319
MonoIsotopic Mass376.069319
Topological Polar Surface Area60.5
Heavy Atom Count26
Formal Charge0
Complexity475
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-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
Canonical SMILES: COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F)OC
InChI: InChI=1/C18H14F2N2O3S/c1-24-12-5-11(6-13(8-12)25-2)17(23)22-18-21-16(9-
26-18)10-3-4-14(19)15(20)7-10/h3-9H,1-2H3,(H,21,22,23)/f/h22H

 
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