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ASN 04458126 N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(4-fluorophenyl)-1,

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摘 要:ASN 04458126 N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(4-fluorophenyl)-1,,3-thiazol-2-yl]furan-2-carboxamide,Canonical SMILES: COC1=C(C=C(C=C1)CCN(C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4)OC,InChI: InChI=1/C24H21FN2O4S/c1-29-20-10-5-16(14-22(20)30-2)11-
[Synonyms]
ASN 04458126
[Structure]
ASN 04458126 N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(4-fluorophenyl)-1,

[ Properties Computed from Structure]
Molecular Weight452.497943 [g/mol]
Molecular FormulaC24H21FN2O4S
XLogP4.3
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count8
Exact Mass452.120606
MonoIsotopic Mass452.120606
Topological Polar Surface Area64.8
Heavy Atom Count32
Formal Charge0
Complexity607
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-(4-fluorophenyl)-1,
3-thiazol-2-yl]furan-2-carboxamide
Canonical SMILES: COC1=C(C=C(C=C1)CCN(C2=NC(=CS2)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4)OC
InChI: InChI=1/C24H21FN2O4S/c1-29-20-10-5-16(14-22(20)30-2)11-12-27(23(28)21-4-
3-13-31-21)24-26-19(15-32-24)17-6-8-18(25)9-7-17/h3-10,13-15H,11-12H2,
1-2H3

 
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