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ChemDiv3_011434,IDI1_028992,AP-906/42697517,A4281/0182565, N-[[1-[(4-c

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摘 要:ChemDiv3_011434,IDI1_028992,AP-906/42697517,A4281/0182565, N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-(phenoxy),acetamide,Canonical SMILES: C1=CC=C(C=C1)OCC(=O)NCC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl,InChI: InChI=1/C23H20ClN3O2/c24-18-12-1
[Synonyms]
ChemDiv3_011434
IDI1_028992
AP-906/42697517
A4281/0182565

[Structure]
ChemDiv3_011434,IDI1_028992,AP-906/42697517,A4281/0182565, N-[[1-[(4-c

[ Properties Computed from Structure]
Molecular Weight405.8768 [g/mol]
Molecular FormulaC23H20ClN3O2
XLogP4.8
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count2
Exact Mass405.124405
MonoIsotopic Mass405.124405
Topological Polar Surface Area56.2
Heavy Atom Count29
Formal Charge0
Complexity520
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-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-(phenoxy)
acetamide
Canonical SMILES: C1=CC=C(C=C1)OCC(=O)NCC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl
InChI: InChI=1/C23H20ClN3O2/c24-18-12-10-17(11-13-18)15-27-21-9-5-4-8-20(21)26-
22(27)14-25-23(28)16-29-19-6-2-1-3-7-19/h1-13H,14-16H2,(H,25,28)/f/h25H

 
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