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84113-59-7 | 2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethyl-benzene
CAS No: 84113-59-7 Catalog No: AG004ZL1 MDL No:
Product Description
Catalog Number:
AG004ZL1
Chemical Name:
2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethyl-benzene
CAS Number:
84113-59-7
Molecular Formula:
C16H18O3S
Molecular Weight:
290.3773
IUPAC Name:
2-(4-methoxyphenyl)sulfonyl-1,3,5-trimethylbenzene
InChI:
InChI=1S/C16H18O3S/c1-11-9-12(2)16(13(3)10-11)20(17,18)15-7-5-14(19-4)6-8-15/h5-10H,1-4H3
InChI Key:
UZRRYQWSKNLAJW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)c1c(C)cc(cc1C)C
NSC Number:
403316
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.377g/mol
Monoisotopic Mass:
290.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Identification and characterization of small molecules as potent and specific EPAC2 antagonists. | Journal of medicinal chemistry 20130214 |
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