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88606-53-5 | Acetamide, N-[5-[[[3-(acetyloxy)phenyl]methyl]sulfonyl]-8-quinolinyl]-
CAS No: 88606-53-5 Catalog No: AG004AI4 MDL No:
Product Description
Catalog Number:
AG004AI4
Chemical Name:
Acetamide, N-[5-[[[3-(acetyloxy)phenyl]methyl]sulfonyl]-8-quinolinyl]-
CAS Number:
88606-53-5
Molecular Formula:
C20H18N2O5S
Molecular Weight:
398.4323
IUPAC Name:
[3-[(8-acetamidoquinolin-5-yl)sulfonylmethyl]phenyl] acetate
InChI:
InChI=1S/C20H18N2O5S/c1-13(23)22-18-8-9-19(17-7-4-10-21-20(17)18)28(25,26)12-15-5-3-6-16(11-15)27-14(2)24/h3-11H,12H2,1-2H3,(H,22,23)
InChI Key:
LRYQBRWGFFDAQB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c2c1nccc2)S(=O)(=O)Cc1cccc(c1)OC(=O)C
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.094g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.433g/mol
Monoisotopic Mass:
398.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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