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72805-28-8 | N-[(2E)-1-(Octyloxy)-1,2-dihydropyridin-2-ylidene]benzenesulfonamide
CAS No: 72805-28-8 Catalog No: AG01F5AE MDL No:
Product Description
Catalog Number:
AG01F5AE
Chemical Name:
N-[(2E)-1-(Octyloxy)-1,2-dihydropyridin-2-ylidene]benzenesulfonamide
CAS Number:
72805-28-8
Molecular Formula:
C19H26N2O3S
Molecular Weight:
362.4863
IUPAC Name:
(NE)-N-(1-octoxypyridin-2-ylidene)benzenesulfonamide
InChI:
InChI=1S/C19H26N2O3S/c1-2-3-4-5-6-12-17-24-21-16-11-10-15-19(21)20-25(22,23)18-13-8-7-9-14-18/h7-11,13-16H,2-6,12,17H2,1H3/b20-19+
InChI Key:
RYOJKKSYOZUVFY-FMQUCBEESA-N
SMILES:
CCCCCCCCOn1cccc/c/1=N\S(=O)(=O)c1ccccc1
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
362.166g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.488g/mol
Monoisotopic Mass:
362.166g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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