Protein kinase inhibitors 1


Chemical Name: Protein kinase inhibitors 1
CAS Number: 1365986-44-2
Product Number: AG01DUAL(AG01DUAL)
Synonyms:
MDL No:
Molecular Formula: C18H17N5O3S
Molecular Weight: 383.4243

Identification/Properties


Computed Properties
Molecular Weight:
383.426g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
383.105g/mol
Monoisotopic Mass:
383.105g/mol
Topological Polar Surface Area:
129A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
754
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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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