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88758-72-9 | Ethanimidamide, N-[(3,4-dimethylbenzoyl)oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-72-9 Catalog No: AG004C24 MDL No:
Product Description
Catalog Number:
AG004C24
Chemical Name:
Ethanimidamide, N-[(3,4-dimethylbenzoyl)oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-72-9
Molecular Formula:
C20H19N3O3
Molecular Weight:
349.3832
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 3,4-dimethylbenzoate
InChI:
InChI=1S/C20H19N3O3/c1-13-8-9-16(11-14(13)2)20(24)26-23-18(21)12-25-17-7-3-5-15-6-4-10-22-19(15)17/h3-11H,12H2,1-2H3,(H2,21,23)
InChI Key:
GBAGJKZELAZTCN-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nccc2)NOC(=O)c1ccc(c(c1)C)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.39g/mol
Monoisotopic Mass:
349.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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