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ZINC00496906 N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3,5-dimethylbenzo

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摘 要:ZINC00496906 N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3,5-dimethylbenzohydrazide,Canonical SMILES: CC1=CC(=CC(=C1)C(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)C)C,InChI: InChI=1/C18H19ClN2O3/c1-11-6-12(2)8-14(7-11)18(23)21-20-17(22)10-24-16-,5-4-15(19)9-13(16)3/h4-
[Synonyms]
ZINC00496906
[Structure]
ZINC00496906 N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3,5-dimethylbenzo

[ Properties Computed from Structure]
Molecular Weight346.80806 [g/mol]
Molecular FormulaC18H19ClN2O3
XLogP4.4
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count4
Exact Mass346.10842
MonoIsotopic Mass346.10842
Topological Polar Surface Area67.4
Heavy Atom Count24
Formal Charge0
Complexity436
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-(4-chloro-2-methylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
Canonical SMILES: CC1=CC(=CC(=C1)C(=O)NNC(=O)COC2=C(C=C(C=C2)Cl)C)C
InChI: InChI=1/C18H19ClN2O3/c1-11-6-12(2)8-14(7-11)18(23)21-20-17(22)10-24-16-
5-4-15(19)9-13(16)3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)/f/h20-21H

 
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