Ethyl 3-(5-Methoxy-3-indolyl)propanoate - CAS 76834-78-1
Catalog: |
BB035714 |
Product Name: |
Ethyl 3-(5-Methoxy-3-indolyl)propanoate |
CAS: |
76834-78-1 |
Synonyms: |
3-(5-methoxy-1H-indol-3-yl)propanoic acid ethyl ester; ethyl 3-(5-methoxy-1H-indol-3-yl)propanoate |
IUPAC Name: | ethyl 3-(5-methoxy-1H-indol-3-yl)propanoate |
Description: | Ethyl 3-(5-Methoxy-3-indolyl)propanoate (CAS# 76834-78-1 ) is a useful research chemical. |
Molecular Weight: | 247.29 |
Molecular Formula: | C14H17NO3 |
Canonical SMILES: | CCOC(=O)CCC1=CNC2=C1C=C(C=C2)OC |
InChI: | InChI=1S/C14H17NO3/c1-3-18-14(16)7-4-10-9-15-13-6-5-11(17-2)8-12(10)13/h5-6,8-9,15H,3-4,7H2,1-2H3 |
InChI Key: | GLPHHVMCFVKTTF-UHFFFAOYSA-N |
LogP: | 2.67220 |
Publication Number | Title | Priority Date |
AU-2006287513-A1 | 1, 3-disubstituted indole derivatives for use as PPAR modulators | 20050907 |
BR-PI0615929-A2 | ppar active compounds, composition, kit and use thereof | 20050907 |
EP-1943245-A2 | 1,3-disubstituted indole derivatives for use as ppar modulators | 20050907 |
JP-2009507079-A | PPAR active compounds | 20050907 |
KR-20080047591-A | 1,3-disubstituted indole derivatives for use as PPA regulators | 20050907 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.1208434 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 51.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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