ROC-325


Chemical Name: ROC-325
CAS Number: 1859141-26-6
Product Number: AG01EOQM(AGN-PC-3H46HM)
Synonyms:
MDL No:
Molecular Formula: C28H27ClN4OS
Molecular Weight: 503.0582

Identification/Properties


Computed Properties
Molecular Weight:
503.061g/mol
XLogP3:
7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
502.159g/mol
Monoisotopic Mass:
502.159g/mol
Topological Polar Surface Area:
82.6A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
712
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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