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169210-73-5 | 1-Propanone, 2-[(4-chlorophenyl)thio]-1-(3,4-dimethoxyphenyl)-
CAS No: 169210-73-5 Catalog No: AG001YKY MDL No:
Product Description
Catalog Number:
AG001YKY
Chemical Name:
1-Propanone, 2-[(4-chlorophenyl)thio]-1-(3,4-dimethoxyphenyl)-
CAS Number:
169210-73-5
Molecular Formula:
C17H17ClO3S
Molecular Weight:
336.8331
IUPAC Name:
2-(4-chlorophenyl)sulfanyl-1-(3,4-dimethoxyphenyl)propan-1-one
InChI:
InChI=1S/C17H17ClO3S/c1-11(22-14-7-5-13(18)6-8-14)17(19)12-4-9-15(20-2)16(10-12)21-3/h4-11H,1-3H3
InChI Key:
WRGMEHJRTPYLAW-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)C(Sc1ccc(cc1)Cl)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.83g/mol
Monoisotopic Mass:
336.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship of antileishmanials neolignan analogues. | Bioorganic & medicinal chemistry 20071201 |
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