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metahexamide

CAS No.:
565-33-3
Catalog Number:
AG00EIQ1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EIQ1
Chemical Name:
metahexamide
CAS Number:
565-33-3
IUPAC Name:
1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea
InChI:
InChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18)
InChI Key:
XXYTXQGCRQLRHA-UHFFFAOYSA-N
EC Number:
209-276-9
UNII:
T3U6F5D722
Properties
Complexity:
455  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.13g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
311.4g/mol
Monoisotopic Mass:
311.13g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. Journal of medicinal chemistry 20081113
Properties