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Home > Other Building Blocks > 169210-71-3
169210-71-3 | 1-Propanone, 1-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]-
CAS No: 169210-71-3 Catalog No: AG001YKZ MDL No:
Product Description
Catalog Number:
AG001YKZ
Chemical Name:
1-Propanone, 1-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]-
CAS Number:
169210-71-3
Molecular Formula:
C18H20O3S
Molecular Weight:
316.4146
IUPAC Name:
1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropan-1-one
InChI:
InChI=1S/C18H20O3S/c1-12-5-8-15(9-6-12)22-13(2)18(19)14-7-10-16(20-3)17(11-14)21-4/h5-11,13H,1-4H3
InChI Key:
QRPVFMGEVIXSRM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)C(Sc1ccc(cc1)C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.113g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.415g/mol
Monoisotopic Mass:
316.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship of antileishmanials neolignan analogues. | Bioorganic & medicinal chemistry 20071201 |
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