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88758-45-6 | Ethanimidamide, N-[[(heptylthio)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-45-6 Catalog No: AG004DQR MDL No:
Product Description
Catalog Number:
AG004DQR
Chemical Name:
Ethanimidamide, N-[[(heptylthio)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-45-6
Molecular Formula:
C19H25N3O3S
Molecular Weight:
375.4851
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] heptylsulfanylformate
InChI:
InChI=1S/C19H25N3O3S/c1-2-3-4-5-6-13-26-19(23)25-22-17(20)14-24-16-11-7-9-15-10-8-12-21-18(15)16/h7-12H,2-6,13-14H2,1H3,(H2,20,22)
InChI Key:
PSYRCEVNTNWHLA-UHFFFAOYSA-N
SMILES:
CCCCCCCSC(=O)ONC(=N)COc1cccc2c1nccc2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.162g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.487g/mol
Monoisotopic Mass:
375.162g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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