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866049-60-7 | (2E)-1-(3-methoxyphenyl)-3-[2-(methylsulfanyl)quinolin-3-yl]prop-2-en-1-one
CAS No: 866049-60-7 Catalog No: AG00IUYI MDL No:MFCD04125827
Product Description
Catalog Number:
AG00IUYI
Chemical Name:
(2E)-1-(3-methoxyphenyl)-3-[2-(methylsulfanyl)quinolin-3-yl]prop-2-en-1-one
CAS Number:
866049-60-7
Molecular Formula:
C20H17NO2S
Molecular Weight:
335.4195
MDL Number:
MFCD04125827
IUPAC Name:
(E)-1-(3-methoxyphenyl)-3-(2-methylsulfanylquinolin-3-yl)prop-2-en-1-one
InChI:
InChI=1S/C20H17NO2S/c1-23-17-8-5-7-15(13-17)19(22)11-10-16-12-14-6-3-4-9-18(14)21-20(16)24-2/h3-13H,1-2H3/b11-10+
InChI Key:
SMDYLRBEFBDDRN-ZHACJKMWSA-N
SMILES:
CSc1nc2ccccc2cc1/C=C/C(=O)c1cccc(c1)OC
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
335.098g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.421g/mol
Monoisotopic Mass:
335.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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