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N-[4-(cyclohexylsulfamoyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]

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摘 要: N-[4-(cyclohexylsulfamoyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl],acetamide,Canonical SMILES: CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4CCCCC4,InChI: InChI=1/C22H26N6O3S/c1-16-7-9-17(10-8-16)22-24-27-28(25-22)15-21(29)23-,18-11-13
[Synonyms]

[Structure]
 N-[4-(cyclohexylsulfamoyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]

[ Properties Computed from Structure]
Molecular Weight454.54524 [g/mol]
Molecular FormulaC22H26N6O3S
XLogP4.1
H-Bond Donor2
H-Bond Acceptor8
Rotatable Bond Count7
Tautomer Count2
Exact Mass454.178709
MonoIsotopic Mass454.178709
Topological Polar Surface Area119
Heavy Atom Count32
Formal Charge0
Complexity708
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-[4-(cyclohexylsulfamoyl)phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]
acetamide
Canonical SMILES: CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4CCCCC4
InChI: InChI=1/C22H26N6O3S/c1-16-7-9-17(10-8-16)22-24-27-28(25-22)15-21(29)23-
18-11-13-20(14-12-18)32(30,31)26-19-5-3-2-4-6-19/h7-14,19,26H,2-6,15H2,
1H3,(H,23,29)/f/h23H

 
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