SID 26681509


Chemical Name: SID 26681509
CAS Number: 958772-66-2
Product Number: AG01ENP1(AGN-PC-0WAI9N)
Synonyms:
MDL No:
Molecular Formula: C27H33N5O5S
Molecular Weight: 539.6464

Identification/Properties


Computed Properties
Molecular Weight:
539.651g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
11
Exact Mass:
539.22g/mol
Monoisotopic Mass:
539.22g/mol
Topological Polar Surface Area:
167A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
835
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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