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88758-38-7 | Ethanimidamide, N-(2-ethyl-1-oxobutoxy)-2-(8-quinolinyloxy)-
CAS No: 88758-38-7 Catalog No: AG004DV8 MDL No:
Product Description
Catalog Number:
AG004DV8
Chemical Name:
Ethanimidamide, N-(2-ethyl-1-oxobutoxy)-2-(8-quinolinyloxy)-
CAS Number:
88758-38-7
Molecular Formula:
C17H21N3O3
Molecular Weight:
315.3669
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-ethylbutanoate
InChI:
InChI=1S/C17H21N3O3/c1-3-12(4-2)17(21)23-20-15(18)11-22-14-9-5-7-13-8-6-10-19-16(13)14/h5-10,12H,3-4,11H2,1-2H3,(H2,18,20)
InChI Key:
ANUSHAPHRLDSFF-UHFFFAOYSA-N
SMILES:
CCC(C(=O)ONC(=N)COc1cccc2c1nccc2)CC
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.373g/mol
Monoisotopic Mass:
315.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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