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Oprea1_184681,Oprea1_670349,MLS001210607,ZINC00880975,ASN 03431235,SMR

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摘 要:Oprea1_184681,Oprea1_670349,MLS001210607,ZINC00880975,ASN 03431235,SMR000503334,N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-4-fluoro-benzamide, N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide,Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=
[Synonyms]
Oprea1_184681
Oprea1_670349
MLS001210607
ZINC00880975
ASN 03431235
SMR000503334
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-4-fluoro-benzamide

[Structure]
Oprea1_184681,Oprea1_670349,MLS001210607,ZINC00880975,ASN 03431235,SMR

[ Properties Computed from Structure]
Molecular Weight358.386703 [g/mol]
Molecular FormulaC18H15FN2O3S
XLogP3.8
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count3
Exact Mass358.078741
MonoIsotopic Mass358.078741
Topological Polar Surface Area60.5
Heavy Atom Count25
Formal Charge0
Complexity448
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-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)F
InChI: InChI=1/C18H15FN2O3S/c1-23-13-7-8-16(24-2)14(9-13)15-10-25-18(20-15)21-
17(22)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,21,22)/f/h21H

 
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