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675185-84-9 | 2-Propanone, 1-[[4-(4-quinolinylmethoxy)phenyl]thio]-
CAS No: 675185-84-9 Catalog No: AG005MYE MDL No:
Product Description
Catalog Number:
AG005MYE
Chemical Name:
2-Propanone, 1-[[4-(4-quinolinylmethoxy)phenyl]thio]-
CAS Number:
675185-84-9
Molecular Formula:
C19H17NO2S
Molecular Weight:
323.4088
IUPAC Name:
1-[4-(quinolin-4-ylmethoxy)phenyl]sulfanylpropan-2-one
InChI:
InChI=1S/C19H17NO2S/c1-14(21)13-23-17-8-6-16(7-9-17)22-12-15-10-11-20-19-5-3-2-4-18(15)19/h2-11H,12-13H2,1H3
InChI Key:
NSGSIXIRRMFQKR-UHFFFAOYSA-N
SMILES:
CC(=O)CSc1ccc(cc1)OCc1ccnc2c1cccc2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.41g/mol
Monoisotopic Mass:
323.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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