JQ-35, (S)-


Chemical Name: JQ-35, (S)-
CAS Number: 1349719-98-7
Product Number: AG01ENWY(AGN-PC-3H4646)
Synonyms:
MDL No:
Molecular Formula: C27H34ClN7OS
Molecular Weight: 540.1232

Identification/Properties


Computed Properties
Molecular Weight:
540.127g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
539.223g/mol
Monoisotopic Mass:
539.223g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
37
Formal Charge:
0
Complexity:
817
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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