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88758-56-9 | Ethanimidamide, N-[(4-methylbenzoyl)oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-56-9 Catalog No: AG008BLB MDL No:
Product Description
Catalog Number:
AG008BLB
Chemical Name:
Ethanimidamide, N-[(4-methylbenzoyl)oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-56-9
Molecular Formula:
C19H17N3O3
Molecular Weight:
335.3566
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 4-methylbenzoate
InChI:
InChI=1S/C19H17N3O3/c1-13-7-9-15(10-8-13)19(23)25-22-17(20)12-24-16-6-2-4-14-5-3-11-21-18(14)16/h2-11H,12H2,1H3,(H2,20,22)
InChI Key:
UTCJARLATSEVRT-UHFFFAOYSA-N
SMILES:
N=C(COc1cccc2c1nccc2)NOC(=O)c1ccc(cc1)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.363g/mol
Monoisotopic Mass:
335.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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