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873919-35-8 | Acetamide, N-phenyl-2-(8-quinolinyloxy)-, hydrate (2:1)
CAS No: 873919-35-8 Catalog No: AG004JVJ MDL No:
Product Description
Catalog Number:
AG004JVJ
Chemical Name:
Acetamide, N-phenyl-2-(8-quinolinyloxy)-, hydrate (2:1)
CAS Number:
873919-35-8
Molecular Formula:
C34H30N4O5
Molecular Weight:
574.6258
IUPAC Name:
N-phenyl-2-quinolin-8-yloxyacetamide;hydrate
InChI:
InChI=1S/2C17H14N2O2.H2O/c2*20-16(19-14-8-2-1-3-9-14)12-21-15-10-4-6-13-7-5-11-18-17(13)15;/h2*1-11H,12H2,(H,19,20);1H2
InChI Key:
JERHRBNEEGUCJK-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)COc1cccc2c1nccc2.O=C(Nc1ccccc1)COc1cccc2c1nccc2.O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.222g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
574.637g/mol
Monoisotopic Mass:
574.222g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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