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Oprea1_385601,ZINC00880992,ASN 03431304,N-[4-(2,5-Dimethoxy-phenyl)-th

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摘 要:Oprea1_385601,ZINC00880992,ASN 03431304,N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-3,N-dimethyl-benzamide, N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N,3-dimethylbenzamide,Canonical SMILES: CC1=CC=CC(=C1)C(=O)N(C)C2=NC(=CS2)C3=C(C=CC(=C3)OC)OC,InChI
[Synonyms]
Oprea1_385601
ZINC00880992
ASN 03431304
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-3,N-dimethyl-benzamide

[Structure]
Oprea1_385601,ZINC00880992,ASN 03431304,N-[4-(2,5-Dimethoxy-phenyl)-th

[ Properties Computed from Structure]
Molecular Weight368.4494 [g/mol]
Molecular FormulaC20H20N2O3S
XLogP4.2
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass368.119463
MonoIsotopic Mass368.119463
Topological Polar Surface Area51.7
Heavy Atom Count26
Formal Charge0
Complexity478
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]-N,3-dimethylbenzamide
Canonical SMILES: CC1=CC=CC(=C1)C(=O)N(C)C2=NC(=CS2)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1/C20H20N2O3S/c1-13-6-5-7-14(10-13)19(23)22(2)20-21-17(12-26-20)
16-11-15(24-3)8-9-18(16)25-4/h5-12H,1-4H3

 
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