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Oprea1_765257 N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylben

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摘 要:Oprea1_765257 N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylbenzamide,Canonical SMILES: CN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3=CC=CC=C3,InChI: InChI=1/C19H18N2O3S/c1-21(18(22)13-7-5-4-6-8-13)19-20-16(12-25-19)15-11-,14(23-2)9-10-17(15)24-3/
[Synonyms]
Oprea1_765257
[Structure]
Oprea1_765257 N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylben

[ Properties Computed from Structure]
Molecular Weight354.42282 [g/mol]
Molecular FormulaC19H18N2O3S
XLogP3.8
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass354.103813
MonoIsotopic Mass354.103813
Topological Polar Surface Area51.7
Heavy Atom Count25
Formal Charge0
Complexity444
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-methylbenzamide
Canonical SMILES: CN(C1=NC(=CS1)C2=C(C=CC(=C2)OC)OC)C(=O)C3=CC=CC=C3
InChI: InChI=1/C19H18N2O3S/c1-21(18(22)13-7-5-4-6-8-13)19-20-16(12-25-19)15-11-
14(23-2)9-10-17(15)24-3/h4-12H,1-3H3

 
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