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301237-03-6 | (quinolin-8-ylsulfanyl)(3,4,5-trimethoxyphenyl)methanone
CAS No: 301237-03-6 Catalog No: AG01AOZJ MDL No:MFCD01415068
Product Description
Catalog Number:
AG01AOZJ
Chemical Name:
(quinolin-8-ylsulfanyl)(3,4,5-trimethoxyphenyl)methanone
CAS Number:
301237-03-6
Molecular Formula:
C19H17NO4S
Molecular Weight:
355.4076
MDL Number:
MFCD01415068
IUPAC Name:
S-quinolin-8-yl 3,4,5-trimethoxybenzenecarbothioate
InChI:
InChI=1S/C19H17NO4S/c1-22-14-10-13(11-15(23-2)18(14)24-3)19(21)25-16-8-4-6-12-7-5-9-20-17(12)16/h4-11H,1-3H3
InChI Key:
PSWMHIRHRKGZLZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)Sc1cccc2c1nccc2
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.088g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.408g/mol
Monoisotopic Mass:
355.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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