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ZINC00644560,AP-263/41946512, 1-(3-chlorophenyl)-4-(4-ethoxynaphthalen

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摘 要:ZINC00644560,AP-263/41946512, 1-(3-chlorophenyl)-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine,Canonical SMILES: CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl,InChI: InChI=1/C22H23ClN2O3S/c1-2-28-21-10-11-22(20-9-4-3-8-19(20)21)29(26,,27
[Synonyms]
ZINC00644560
AP-263/41946512

[Structure]
ZINC00644560,AP-263/41946512, 1-(3-chlorophenyl)-4-(4-ethoxynaphthalen

[ Properties Computed from Structure]
Molecular Weight430.94762 [g/mol]
Molecular FormulaC22H23ClN2O3S
XLogP5.1
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count5
Exact Mass430.111791
MonoIsotopic Mass430.111791
Topological Polar Surface Area49.9
Heavy Atom Count29
Formal Charge0
Complexity633
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: 1-(3-chlorophenyl)-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine
Canonical SMILES: CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI: InChI=1/C22H23ClN2O3S/c1-2-28-21-10-11-22(20-9-4-3-8-19(20)21)29(26,
27)25-14-12-24(13-15-25)18-7-5-6-17(23)16-18/h3-11,16H,2,12-15H2,1H3

 
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