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Oprea1_255910,ZINC00882023,ASN 03572130,3,4,5-Trimethoxy-N-methyl-N-(4

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摘 要:Oprea1_255910,ZINC00882023,ASN 03572130,3,4,5-Trimethoxy-N-methyl-N-(4-phenyl-thiazol-2-yl)-benzamide, 3,4,5-trimethoxy-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(=C(C(=C3)OC)OC)OC,InChI: In
[Synonyms]
Oprea1_255910
ZINC00882023
ASN 03572130
3,4,5-Trimethoxy-N-methyl-N-(4-phenyl-thiazol-2-yl)-benzamide

[Structure]
Oprea1_255910,ZINC00882023,ASN 03572130,3,4,5-Trimethoxy-N-methyl-N-(4

[ Properties Computed from Structure]
Molecular Weight384.4488 [g/mol]
Molecular FormulaC20H20N2O4S
XLogP3.3
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count6
Exact Mass384.114378
MonoIsotopic Mass384.114378
Topological Polar Surface Area60.9
Heavy Atom Count27
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: 3,4,5-trimethoxy-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(=C(C(=C3)OC)OC)OC
InChI: InChI=1/C20H20N2O4S/c1-22(20-21-15(12-27-20)13-8-6-5-7-9-13)19(23)14-10-
16(24-2)18(26-4)17(11-14)25-3/h5-12H,1-4H3

 
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