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Oprea1_271014,ASN 03572452, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-phen

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摘 要:Oprea1_271014,ASN 03572452, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenyl-1,,3-thiazol-2-yl)furan-2-carboxamide,Canonical SMILES: COC1=C(C=C(C=C1)CCN(C2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=CC=CO4)OC,InChI: InChI=1/C24H22N2O4S/c1-28-20-11-10-17(15-22(20)29-2)1
[Synonyms]
Oprea1_271014
ASN 03572452

[Structure]
Oprea1_271014,ASN 03572452, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-phen

[ Properties Computed from Structure]
Molecular Weight434.50748 [g/mol]
Molecular FormulaC24H22N2O4S
XLogP4.1
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count8
Exact Mass434.130028
MonoIsotopic Mass434.130028
Topological Polar Surface Area64.8
Heavy Atom Count31
Formal Charge0
Complexity574
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-phenyl-1,
3-thiazol-2-yl)furan-2-carboxamide
Canonical SMILES: COC1=C(C=C(C=C1)CCN(C2=NC(=CS2)C3=CC=CC=C3)C(=O)C4=CC=CO4)OC
InChI: InChI=1/C24H22N2O4S/c1-28-20-11-10-17(15-22(20)29-2)12-13-26(23(27)21-9-
6-14-30-21)24-25-19(16-31-24)18-7-4-3-5-8-18/h3-11,14-16H,12-13H2,1-2H3

 
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