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88758-22-9 | Ethanimidamide, N-[[(1-methylpropoxy)acetyl]oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-22-9 Catalog No: AG004C7B MDL No:
Product Description
Catalog Number:
AG004C7B
Chemical Name:
Ethanimidamide, N-[[(1-methylpropoxy)acetyl]oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-22-9
Molecular Formula:
C17H21N3O4
Molecular Weight:
331.3663
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-butan-2-yloxyacetate
InChI:
InChI=1S/C17H21N3O4/c1-3-12(2)22-11-16(21)24-20-15(18)10-23-14-8-4-6-13-7-5-9-19-17(13)14/h4-9,12H,3,10-11H2,1-2H3,(H2,18,20)
InChI Key:
JDMXYDIGXNUGNG-UHFFFAOYSA-N
SMILES:
CCC(OCC(=O)ONC(=N)COc1cccc2c1nccc2)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.372g/mol
Monoisotopic Mass:
331.153g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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