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106135-87-9 | Nonanamide, N-[2-[(2,5-dihydroxy-3-octylphenyl)thio]-5-benzothiazolyl]-
CAS No: 106135-87-9 Catalog No: AG007VHW MDL No:
Product Description
Catalog Number:
AG007VHW
Chemical Name:
Nonanamide, N-[2-[(2,5-dihydroxy-3-octylphenyl)thio]-5-benzothiazolyl]-
CAS Number:
106135-87-9
Molecular Formula:
C30H42N2O3S2
Molecular Weight:
542.7961
IUPAC Name:
N-[2-(2,5-dihydroxy-3-octylphenyl)sulfanyl-1,3-benzothiazol-5-yl]nonanamide
InChI:
InChI=1S/C30H42N2O3S2/c1-3-5-7-9-11-13-15-22-19-24(33)21-27(29(22)35)37-30-32-25-20-23(17-18-26(25)36-30)31-28(34)16-14-12-10-8-6-4-2/h17-21,33,35H,3-16H2,1-2H3,(H,31,34)
InChI Key:
HTPNIEBEHCTOJC-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)Nc1ccc2c(c1)nc(s2)Sc1cc(O)cc(c1O)CCCCCCCC
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.264g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
542.797g/mol
Monoisotopic Mass:
542.264g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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