A66


Chemical Name: A66
CAS Number: 1166227-08-2
Product Number: AG000CVY(AGN-PC-0WACE2)
Synonyms:
MDL No:
Molecular Formula: C17H23N5O2S2
Molecular Weight: 393.5268

Identification/Properties


Computed Properties
Molecular Weight:
393.524g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
393.129g/mol
Monoisotopic Mass:
393.129g/mol
Topological Polar Surface Area:
158A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
556
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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