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ST5206875 4-[2-oxo-2-[[4-(phenoxy)phenyl]amino]ethoxy]-N-(phenylmethyl

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摘 要:ST5206875 4-[2-oxo-2-[[4-(phenoxy)phenyl]amino]ethoxy]-N-(phenylmethyl)benzamide,Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4,InChI: InChI=1/C28H24N2O4/c31-27(30-23-13-17-26(18-14-23)34-25-9-5-2-6-10-25),20-33-
[Synonyms]
ST5206875
[Structure]
ST5206875 4-[2-oxo-2-[[4-(phenoxy)phenyl]amino]ethoxy]-N-(phenylmethyl

[ Properties Computed from Structure]
Molecular Weight452.50116 [g/mol]
Molecular FormulaC28H24N2O4
XLogP5.3
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count9
Tautomer Count4
Exact Mass452.173607
MonoIsotopic Mass452.173607
Topological Polar Surface Area76.7
Heavy Atom Count34
Formal Charge0
Complexity614
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: 4-[2-oxo-2-[[4-(phenoxy)phenyl]amino]ethoxy]-N-(phenylmethyl)benzamide
Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1/C28H24N2O4/c31-27(30-23-13-17-26(18-14-23)34-25-9-5-2-6-10-25)
20-33-24-15-11-22(12-16-24)28(32)29-19-21-7-3-1-4-8-21/h1-18H,19-20H2,
(H,29,32)(H,30,31)/f/h29-30H

 
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