Ethyl 3-(3-Indolyl)-2-methylacrylate - CAS 214541-54-5

Catalog:	BB016876
Product Name:	Ethyl 3-(3-Indolyl)-2-methylacrylate
CAS:	214541-54-5
Synonyms:	3-(1H-indol-3-yl)-2-methyl-2-propenoic acid ethyl ester; ethyl 3-(1H-indol-3-yl)-2-methylprop-2-enoate

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl (E)-3-(1H-indol-3-yl)-2-methylprop-2-enoate
Description:	Ethyl 3-(3-Indolyl)-2-methylacrylate (CAS# 214541-54-5 ) is a useful research chemical.
Molecular Weight:	229.27
Molecular Formula:	C14H15NO2
Canonical SMILES:	CCOC(=O)C(=CC1=CNC2=CC=CC=C21)C
InChI:	InChI=1S/C14H15NO2/c1-3-17-14(16)10(2)8-11-9-15-13-7-5-4-6-12(11)13/h4-9,15H,3H2,1-2H3
InChI Key:	TWLMCIKJOZPXIS-UHFFFAOYSA-N
LogP:	3.13430

Publication Number	Title	Priority Date
KR-20130139199-A	Indole compound having selective inhibitory activity of genome replication of hepatitis C virus, preparation method thereof, and pharmaceutical composition for preventing or treating hepatitis C containing the same as an active ingredient	20120612
WO-2013187696-A1	Indole based compound having selective inhibiting activity on genome replication of hepatitis c virus, production method for same, and pharmaceutical composition for preventing or treating hepatitis c containing same as active ingredient	20120612

PMID	Publication Date	Title	Journal
24561671	20140321	Chemical genetics-based discovery of indole derivatives as HCV NS5B polymerase inhibitors	European journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Complexity:	311
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	229.110278721
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.110278721
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1