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88758-85-4 | Ethanimidamide, N-[[(propylthio)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-85-4 Catalog No: AG004BLH MDL No:
Product Description
Catalog Number:
AG004BLH
Chemical Name:
Ethanimidamide, N-[[(propylthio)carbonyl]oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-85-4
Molecular Formula:
C15H17N3O3S
Molecular Weight:
319.3788
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] propylsulfanylformate
InChI:
InChI=1S/C15H17N3O3S/c1-2-9-22-15(19)21-18-13(16)10-20-12-7-3-5-11-6-4-8-17-14(11)12/h3-8H,2,9-10H2,1H3,(H2,16,18)
InChI Key:
GCCOJPCJNUIGTB-UHFFFAOYSA-N
SMILES:
CCCSC(=O)ONC(=N)COc1cccc2c1nccc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.379g/mol
Monoisotopic Mass:
319.099g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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