1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-pentylurea


Chemical Name: 1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-pentylurea
CAS Number: 284464-77-3
Product Number: AG00BC6F(AGN-PC-0MUTE9)
Synonyms:
MDL No: MFCD08062219
Molecular Formula: C18H28N4O5S
Molecular Weight: 412.5037

Identification/Properties


Computed Properties
Molecular Weight:
412.505g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
412.178g/mol
Monoisotopic Mass:
412.178g/mol
Topological Polar Surface Area:
142A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
610
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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