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Oprea1_277021,Oprea1_574764,ASN 03431648, N-[2-(3,4-dimethoxyphenyl)et

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摘 要:Oprea1_277021,Oprea1_574764,ASN 03431648, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,5-dimethoxyphenyl)-1,,3-thiazol-2-yl]-2-phenylacetamide,Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CCC3=CC(=C(C=C3)OC)OC)C(=O)CC4=CC=CC=C4,InChI: InChI=1/C29H30
[Synonyms]
Oprea1_277021
Oprea1_574764
ASN 03431648

[Structure]
Oprea1_277021,Oprea1_574764,ASN 03431648, N-[2-(3,4-dimethoxyphenyl)et

[ Properties Computed from Structure]
Molecular Weight518.6239 [g/mol]
Molecular FormulaC29H30N2O5S
XLogP5
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count11
Exact Mass518.187543
MonoIsotopic Mass518.187543
Topological Polar Surface Area70.1
Heavy Atom Count37
Formal Charge0
Complexity693
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-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,5-dimethoxyphenyl)-1,
3-thiazol-2-yl]-2-phenylacetamide
Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CCC3=CC(=C(C=C3)OC)OC)C(=O)CC4=CC=CC=C4
InChI: InChI=1/C29H30N2O5S/c1-33-22-11-13-25(34-2)23(18-22)24-19-37-29(30-24)31
(28(32)17-20-8-6-5-7-9-20)15-14-21-10-12-26(35-3)27(16-21)36-4/h5-13,16,
18-19H,14-15,17H2,1-4H3

 
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