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ZINC00646674,AP-906/42697514, 2-(phenoxy)-N-[[1-(phenylmethyl)benzimid

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摘 要:ZINC00646674,AP-906/42697514, 2-(phenoxy)-N-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]acetamide,Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CNC(=O)COC4=CC=CC=C4,InChI: InChI=1/C23H21N3O2/c27-23(17-28-19-11-5-2-6-12-19)24-15-22-25-20-13-7-8-,14-
[Synonyms]
ZINC00646674
AP-906/42697514

[Structure]
ZINC00646674,AP-906/42697514, 2-(phenoxy)-N-[[1-(phenylmethyl)benzimid

[ Properties Computed from Structure]
Molecular Weight371.43174 [g/mol]
Molecular FormulaC23H21N3O2
XLogP4.1
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count2
Exact Mass371.163377
MonoIsotopic Mass371.163377
Topological Polar Surface Area56.2
Heavy Atom Count28
Formal Charge0
Complexity488
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: 2-(phenoxy)-N-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]acetamide
Canonical SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CNC(=O)COC4=CC=CC=C4
InChI: InChI=1/C23H21N3O2/c27-23(17-28-19-11-5-2-6-12-19)24-15-22-25-20-13-7-8-
14-21(20)26(22)16-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,27)/f/h24H

 
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