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102612-99-7 | Undecanamide, 11,11'-dithiobis[N-[(4-hydroxy-3-methoxyphenyl)methyl]- (9CI)
CAS No: 102612-99-7 Catalog No: AG0007XG MDL No:
Product Description
Catalog Number:
AG0007XG
Chemical Name:
Undecanamide, 11,11'-dithiobis[N-[(4-hydroxy-3-methoxyphenyl)methyl]- (9CI)
CAS Number:
102612-99-7
Molecular Formula:
C38H60N2O6S2
Molecular Weight:
705.0228
IUPAC Name:
N-[(4-hydroxy-3-methoxyphenyl)methyl]-11-[[11-[(4-hydroxy-3-methoxyphenyl)methylamino]-11-oxoundecyl]disulfanyl]undecanamide
InChI:
InChI=1S/C38H60N2O6S2/c1-45-35-27-31(21-23-33(35)41)29-39-37(43)19-15-11-7-3-5-9-13-17-25-47-48-26-18-14-10-6-4-8-12-16-20-38(44)40-30-32-22-24-34(42)36(28-32)46-2/h21-24,27-28,41-42H,3-20,25-26,29-30H2,1-2H3,(H,39,43)(H,40,44)
InChI Key:
ZQLIHLFWNQYXJE-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCc2ccc(c(c2)OC)O)ccc1O
NSC Number:
659192
Properties
Complexity:
745
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
704.389g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
705.026g/mol
Monoisotopic Mass:
704.389g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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