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Home > Fluorides > 903878-06-8
903878-06-8 | 2H-indol-2-one,1,3-dihydro-1-[3-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3-[[3-(trifluoromethyil)phenyl]imino]-
CAS No: 903878-06-8 Catalog No: AG0039DI MDL No:
Product Description
Catalog Number:
AG0039DI
Chemical Name:
2H-indol-2-one,1,3-dihydro-1-[3-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3-[[3-(trifluoromethyil)phenyl]imino]-
CAS Number:
903878-06-8
Molecular Formula:
C27H24F3N3O2
Molecular Weight:
479.4936
IUPAC Name:
1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
InChI:
InChI=1S/C27H24F3N3O2/c28-27(29,30)19-7-5-8-20(17-19)31-25-23-11-1-2-12-24(23)33(26(25)34)21-9-6-10-22(18-21)35-16-15-32-13-3-4-14-32/h1-2,5-12,17-18H,3-4,13-16H2
InChI Key:
HXCJZIBJTFITNI-UHFFFAOYSA-N
SMILES:
O=C1/C(=N\c2cccc(c2)C(F)(F)F)/c2c(N1c1cccc(c1)OCCN1CCCC1)cccc2
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.182g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
479.503g/mol
Monoisotopic Mass:
479.182g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Amino substituted analogs of 1-phenyl-3-phenylimino-2-indolones with potent galanin Gal3 receptor binding affinity and improved solubility. | Bioorganic & medicinal chemistry letters 20060801 |
| 3-arylimino-2-indolones are potent and selective galanin GAL3 receptor antagonists. | Journal of medicinal chemistry 20060629 |
| Anxiolytic- and antidepressant-like profiles of the galanin-3 receptor (Gal3) antagonists SNAP 37889 and SNAP 398299. | Proceedings of the National Academy of Sciences of the United States of America 20051129 |
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