N-(1,3-dihydroxyoctadecan-2-yl)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide


Chemical Name: N-(1,3-dihydroxyoctadecan-2-yl)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanamide
CAS Number: 114301-95-0
Product Number: AG008SRB(AGN-PC-09SGOU)
Synonyms:
MDL No:
Molecular Formula: C30H49N5O6
Molecular Weight: 575.7400

Identification/Properties


Computed Properties
Molecular Weight:
577.767g/mol
XLogP3:
7.8
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
24
Exact Mass:
577.384g/mol
Monoisotopic Mass:
577.384g/mol
Topological Polar Surface Area:
166A^2
Heavy Atom Count:
41
Formal Charge:
0
Complexity:
697
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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