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400076-25-7 | 1-[4-methyl-2-(phenylsulfanyl)quinolin-3-yl]ethan-1-one
CAS No: 400076-25-7 Catalog No: AG00INFG MDL No:MFCD02185885
Product Description
Catalog Number:
AG00INFG
Chemical Name:
1-[4-methyl-2-(phenylsulfanyl)quinolin-3-yl]ethan-1-one
CAS Number:
400076-25-7
Molecular Formula:
C18H15NOS
Molecular Weight:
293.3828
MDL Number:
MFCD02185885
IUPAC Name:
1-(4-methyl-2-phenylsulfanylquinolin-3-yl)ethanone
InChI:
InChI=1S/C18H15NOS/c1-12-15-10-6-7-11-16(15)19-18(17(12)13(2)20)21-14-8-4-3-5-9-14/h3-11H,1-2H3
InChI Key:
NLLDELQZFRTPNF-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(Sc2ccccc2)nc2c(c1C)cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.384g/mol
Monoisotopic Mass:
293.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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