ly2603618 IC-83


Chemical Name: ly2603618 IC-83
CAS Number: 911222-45-2
Product Number: AG00GU45(AGN-PC-0WADMK)
Synonyms:
MDL No:
Molecular Formula: C18H22BrN5O3
Molecular Weight: 436.3030

Identification/Properties


Computed Properties
Molecular Weight:
436.31g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
435.091g/mol
Monoisotopic Mass:
435.091g/mol
Topological Polar Surface Area:
97.4A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
486
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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