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162293-96-1 | Urea, N,N''-(methylenediphenylene)bis[N'-octadecyl-
CAS No: 162293-96-1 Catalog No: AG001SYZ MDL No:
Product Description
Catalog Number:
AG001SYZ
Chemical Name:
Urea, N,N''-(methylenediphenylene)bis[N'-octadecyl-
CAS Number:
162293-96-1
Molecular Formula:
C51H88N4O2
Molecular Weight:
789.2700
IUPAC Name:
1-octadecyl-3-[2-[[2-(octadecylcarbamoylamino)phenyl]methyl]phenyl]urea
InChI:
InChI=1S/C51H88N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-43-52-50(56)54-48-41-35-33-39-46(48)45-47-40-34-36-42-49(47)55-51(57)53-44-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,39-42H,3-32,37-38,43-45H2,1-2H3,(H2,52,54,56)(H2,53,55,57)
InChI Key:
QNOBVXVVXFCJCQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1Cc1ccccc1NC(=O)NCCCCCCCCCCCCCCCCCC
Properties
Complexity:
828
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
788.691g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
789.291g/mol
Monoisotopic Mass:
788.691g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19.5
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