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88758-58-1 | Ethanimidamide, N-(benzoyloxy)-2-(8-quinolinyloxy)-
CAS No: 88758-58-1 Catalog No: AG004C2H MDL No:
Product Description
Catalog Number:
AG004C2H
Chemical Name:
Ethanimidamide, N-(benzoyloxy)-2-(8-quinolinyloxy)-
CAS Number:
88758-58-1
Molecular Formula:
C18H15N3O3
Molecular Weight:
321.3300
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] benzoate
InChI:
InChI=1S/C18H15N3O3/c19-16(21-24-18(22)14-6-2-1-3-7-14)12-23-15-10-4-8-13-9-5-11-20-17(13)15/h1-11H,12H2,(H2,19,21)
InChI Key:
VVWLJSRDPFTFQX-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nccc2)NOC(=O)c1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.111g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.336g/mol
Monoisotopic Mass:
321.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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