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CBKinase1_009867,CBKinase1_022267,ST5205698, N-(2-chlorophenyl)-4-[2-o

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摘 要:CBKinase1_009867,CBKinase1_022267,ST5205698, N-(2-chlorophenyl)-4-[2-oxo-2-[[4-(phenoxy)phenyl]amino]ethoxy]benzamide,Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl,InChI: InChI=1/C27H21ClN2O4/c28-24-8-4-5-9-25(
[Synonyms]
CBKinase1_009867
CBKinase1_022267
ST5205698

[Structure]
CBKinase1_009867,CBKinase1_022267,ST5205698, N-(2-chlorophenyl)-4-[2-o

[ Properties Computed from Structure]
Molecular Weight472.91964 [g/mol]
Molecular FormulaC27H21ClN2O4
XLogP5.7
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count8
Tautomer Count4
Exact Mass472.118985
MonoIsotopic Mass472.118985
Topological Polar Surface Area76.7
Heavy Atom Count34
Formal Charge0
Complexity641
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-chlorophenyl)-4-[2-oxo-2-[[4-(phenoxy)phenyl]amino]ethoxy]benzamide
Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl
InChI: InChI=1/C27H21ClN2O4/c28-24-8-4-5-9-25(24)30-27(32)19-10-14-21(15-11-19)
33-18-26(31)29-20-12-16-23(17-13-20)34-22-6-2-1-3-7-22/h1-17H,18H2,(H,
29,31)(H,30,32)/f/h29-30H

 
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