4,6-Pyrimidinediamine, N,N'-dicyclopentyl-2-(methylthio)-5-nitro-


Chemical Name: 4,6-Pyrimidinediamine, N,N'-dicyclopentyl-2-(methylthio)-5-nitro-
CAS Number: 39069-52-8
Product Number: AG00C0BL(AGN-PC-0LUN08)
Synonyms:
MDL No: MFCD06201849
Molecular Formula: C15H23N5O2S
Molecular Weight: 337.4404

Identification/Properties


Computed Properties
Molecular Weight:
337.442g/mol
XLogP3:
5.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
337.157g/mol
Monoisotopic Mass:
337.157g/mol
Topological Polar Surface Area:
121A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
368
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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