Montelukast Sulfone


Chemical Name: Montelukast Sulfone
CAS Number: 1266620-74-9
Product Number: AG000T18(AGN-PC-0WAE6D)
Synonyms:
MDL No:
Molecular Formula: C35H36ClNO5S
Molecular Weight: 618.1820

Identification/Properties


Computed Properties
Molecular Weight:
618.185g/mol
XLogP3:
6.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
12
Exact Mass:
617.2g/mol
Monoisotopic Mass:
617.2g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
43
Formal Charge:
0
Complexity:
1080
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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