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88757-99-7 | Ethanimidamide, N-[[(pentylthio)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS No: 88757-99-7 Catalog No: AG008BM9 MDL No:
Product Description
Catalog Number:
AG008BM9
Chemical Name:
Ethanimidamide, N-[[(pentylthio)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS Number:
88757-99-7
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] pentylsulfanylformate
InChI:
InChI=1S/C17H21N3O3S/c1-2-3-4-11-24-17(21)23-20-15(18)12-22-14-9-5-7-13-8-6-10-19-16(13)14/h5-10H,2-4,11-12H2,1H3,(H2,18,20)
InChI Key:
SXZMRMAKFLWMMM-UHFFFAOYSA-N
SMILES:
CCCCCSC(=O)ONC(=N)COc1cccc2c1nccc2
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.433g/mol
Monoisotopic Mass:
347.13g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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