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122886-55-9 | Urea, N-octyl-N'-[4-[[4-[[(octylamino)carbonyl]amino]phenyl]methyl]phenyl]-
CAS No: 122886-55-9 Catalog No: AG000JOH MDL No:
Product Description
Catalog Number:
AG000JOH
Chemical Name:
Urea, N-octyl-N'-[4-[[4-[[(octylamino)carbonyl]amino]phenyl]methyl]phenyl]-
CAS Number:
122886-55-9
Molecular Formula:
C31H48N4O2
Molecular Weight:
508.7384
IUPAC Name:
1-octyl-3-[4-[[4-(octylcarbamoylamino)phenyl]methyl]phenyl]urea
InChI:
InChI=1S/C31H48N4O2/c1-3-5-7-9-11-13-23-32-30(36)34-28-19-15-26(16-20-28)25-27-17-21-29(22-18-27)35-31(37)33-24-14-12-10-8-6-4-2/h15-22H,3-14,23-25H2,1-2H3,(H2,32,34,36)(H2,33,35,37)
InChI Key:
CWSYHECTOJPFDT-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)NCCCCCCCC
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.378g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
508.751g/mol
Monoisotopic Mass:
508.378g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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