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Oprea1_445755,Oprea1_781540,ASN 03431620, N-[2-(3,4-dimethoxyphenyl)et

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摘 要:Oprea1_445755,Oprea1_781540,ASN 03431620, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(2,5-dimethoxyphenyl)-1,,3-thiazol-2-yl]propanamide,Canonical SMILES: CCC(=O)N(CCC1=CC(=C(C=C1)OC)OC)C2=NC(=CS2)C3=C(C=CC(=C3)OC)OC,InChI: InChI=1/C24H28N2O5S/c1-6-23(27)
[Synonyms]
Oprea1_445755
Oprea1_781540
ASN 03431620

[Structure]
Oprea1_445755,Oprea1_781540,ASN 03431620, N-[2-(3,4-dimethoxyphenyl)et

[ Properties Computed from Structure]
Molecular Weight456.55452 [g/mol]
Molecular FormulaC24H28N2O5S
XLogP3.8
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count10
Exact Mass456.171893
MonoIsotopic Mass456.171893
Topological Polar Surface Area70.1
Heavy Atom Count32
Formal Charge0
Complexity583
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]propanamide
Canonical SMILES: CCC(=O)N(CCC1=CC(=C(C=C1)OC)OC)C2=NC(=CS2)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1/C24H28N2O5S/c1-6-23(27)26(12-11-16-7-9-21(30-4)22(13-16)31-5)24-
25-19(15-32-24)18-14-17(28-2)8-10-20(18)29-3/h7-10,13-15H,6,11-12H2,
1-5H3

 
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