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917747-84-3 | 7-Benzyl-[1,3]dioxolo[4,5-g]quinoline-6-thiol
CAS No: 917747-84-3 Catalog No: AG01EZ5Y MDL No:
Product Description
Catalog Number:
AG01EZ5Y
Chemical Name:
7-Benzyl-[1,3]dioxolo[4,5-g]quinoline-6-thiol
CAS Number:
917747-84-3
Molecular Formula:
C17H13NO2S
Molecular Weight:
295.3556
IUPAC Name:
7-benzyl-5H-[1,3]dioxolo[4,5-g]quinoline-6-thione
InChI:
InChI=1S/C17H13NO2S/c21-17-13(6-11-4-2-1-3-5-11)7-12-8-15-16(20-10-19-15)9-14(12)18-17/h1-5,7-9H,6,10H2,(H,18,21)
InChI Key:
OQMCIGHHBGFWNV-UHFFFAOYSA-N
SMILES:
Sc1nc2cc3OCOc3cc2cc1Cc1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.356g/mol
Monoisotopic Mass:
295.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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