2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1H-pyridin-4-one


Chemical Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1H-pyridin-4-one
CAS Number: 103876-98-8
Product Number: AG008X8E(AGN-PC-0A2AJ4)
Synonyms:
MDL No:
Molecular Formula: C16H17N3O2S
Molecular Weight: 315.39008

Identification/Properties


Computed Properties
Molecular Weight:
315.391g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
315.104g/mol
Monoisotopic Mass:
315.104g/mol
Topological Polar Surface Area:
92.3A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
518
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

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NMR Spectrum


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