N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide


Chemical Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-methoxy-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide
CAS Number: 853625-60-2
Product Number: AG0036C7(AGN-PC-0JZL0C)
Synonyms:
MDL No: MFCD10687099
Molecular Formula: C24H20N4O4S
Molecular Weight: 460.5050

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
460.508g/mol
XLogP3:
4.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
460.121g/mol
Monoisotopic Mass:
460.121g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
644
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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