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141582-95-8 | Urea, N,N''-phenylenebis[N'-docosyl- (9CI)
CAS No: 141582-95-8 Catalog No: AG001GMW MDL No:
Product Description
Catalog Number:
AG001GMW
Chemical Name:
Urea, N,N''-phenylenebis[N'-docosyl- (9CI)
CAS Number:
141582-95-8
Molecular Formula:
C52H98N4O2
Molecular Weight:
811.3601
IUPAC Name:
1-docosyl-3-[2-(docosylcarbamoylamino)phenyl]urea
InChI:
InChI=1S/C52H98N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-47-53-51(57)55-49-45-41-42-46-50(49)56-52(58)54-48-44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-42,45-46H,3-40,43-44,47-48H2,1-2H3,(H2,53,55,57)(H2,54,56,58)
InChI Key:
PTMKPIQWCGUUFR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1NC(=O)NCCCCCCCCCCCCCCCCCCCCCC
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
810.769g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
811.382g/mol
Monoisotopic Mass:
810.769g/mol
Rotatable Bond Count:
44
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
21.9
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