Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[4-[(4-nitrophenyl)thio]phenyl]-


Chemical Name: Urea, N-[2,6-bis(1-methylethyl)phenyl]-N'-[4-[(4-nitrophenyl)thio]phenyl]-
CAS Number: 228544-65-8
Product Number: AG00C4IB(AGN-PC-0MVWXY)
Synonyms:
MDL No:
Molecular Formula: C25H27N3O3S
Molecular Weight: 449.5652

Identification/Properties


Computed Properties
Molecular Weight:
449.569g/mol
XLogP3:
6.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
449.177g/mol
Monoisotopic Mass:
449.177g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
592
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

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NMR Spectrum


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