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Home > Fluorides > 1160247-92-6
1160247-92-6 | 1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-
CAS No: 1160247-92-6 Catalog No: AG000BF3 MDL No:
Product Description
Catalog Number:
AG000BF3
Chemical Name:
1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-
CAS Number:
1160247-92-6
Molecular Formula:
C17H12F3NO4
Molecular Weight:
351.2767
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
InChI:
InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
InChI Key:
CKLGZXFOLMHCMC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.072g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.281g/mol
Monoisotopic Mass:
351.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Discovery of the first highly M5-preferring muscarinic acetylcholine receptor ligand, an M5 positive allosteric modulator derived from a series of 5-trifluoromethoxy N-benzyl isatins. | Journal of medicinal chemistry 20090611 |
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