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Oprea1_698846,ZINC00929086,ASN 03269743,N-Ethyl-N-[4-(4-methoxy-phenyl

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摘 要:Oprea1_698846,ZINC00929086,ASN 03269743,N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-2-p-tolyloxy-acetamide, N-ethyl-N-[4-(4-methoxyphenyl)-1,,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide,Canonical SMILES: CCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)COC3=CC
[Synonyms]
Oprea1_698846
ZINC00929086
ASN 03269743
N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-2-p-tolyloxy-acetamide

[Structure]
Oprea1_698846,ZINC00929086,ASN 03269743,N-Ethyl-N-[4-(4-methoxy-phenyl

[ Properties Computed from Structure]
Molecular Weight382.47598 [g/mol]
Molecular FormulaC21H22N2O3S
XLogP4.4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count7
Exact Mass382.135113
MonoIsotopic Mass382.135113
Topological Polar Surface Area51.7
Heavy Atom Count27
Formal Charge0
Complexity462
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-ethyl-N-[4-(4-methoxyphenyl)-1,
3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
Canonical SMILES: CCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)COC3=CC=C(C=C3)C
InChI: InChI=1/C21H22N2O3S/c1-4-23(20(24)13-26-18-9-5-15(2)6-10-18)21-22-19(14-
27-21)16-7-11-17(25-3)12-8-16/h5-12,14H,4,13H2,1-3H3

 
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