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870647-83-9 | 4(3H)-Quinolinone, 3-methyl-2-[(4-methylphenyl)thio]-3-phenyl-
CAS No: 870647-83-9 Catalog No: AG008DM5 MDL No:
Product Description
Catalog Number:
AG008DM5
Chemical Name:
4(3H)-Quinolinone, 3-methyl-2-[(4-methylphenyl)thio]-3-phenyl-
CAS Number:
870647-83-9
Molecular Formula:
C23H19NOS
Molecular Weight:
357.4681
IUPAC Name:
3-methyl-2-(4-methylphenyl)sulfanyl-3-phenylquinolin-4-one
InChI:
InChI=1S/C23H19NOS/c1-16-12-14-18(15-13-16)26-22-23(2,17-8-4-3-5-9-17)21(25)19-10-6-7-11-20(19)24-22/h3-15H,1-2H3
InChI Key:
ZOFUOMFQBFXOFS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SC1=Nc2ccccc2C(=O)C1(C)c1ccccc1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.119g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.471g/mol
Monoisotopic Mass:
357.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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