CAS 4815-43-4 | Ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate | CAS Number 4815-43-4

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4815-43-4 | Ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate

CAS No: 4815-43-4 Catalog No: AG01F9DN MDL No:MFCD00688367

Product Description

Catalog Number:

AG01F9DN

Chemical Name:

Ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate

CAS Number:

4815-43-4

Molecular Formula:

C19H17NO2S

Molecular Weight:

323.4088

MDL Number:

MFCD00688367

IUPAC Name:

ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate

InChI:

InChI=1S/C19H17NO2S/c1-2-22-19(21)16-15(13-9-5-3-6-10-13)17(23-18(16)20)14-11-7-4-8-12-14/h3-12H,2,20H2,1H3

InChI Key:

KZDXAPZNXDJJMB-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(N)sc(c1c1ccccc1)c1ccccc1

Properties

Complexity:

391

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

323.098g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.41g/mol

Monoisotopic Mass:

323.098g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3

Literature

Title	Journal
Substituted 2-aminothiopen-derivatives: a potential new class of GluR6-antagonists.	European journal of medicinal chemistry 20100101
2-Amino-3-benzoylthiophene allosteric enhancers of A1 adenosine agonist binding: new 3, 4-, and 5-modifications.	Journal of medicinal chemistry 20030508