Ethyl 2-(4-Nitrophenyl)thiazole-4-carboxylate - CAS 78979-64-3
Catalog: |
BB036264 |
Product Name: |
Ethyl 2-(4-Nitrophenyl)thiazole-4-carboxylate |
CAS: |
78979-64-3 |
Synonyms: |
2-(4-nitrophenyl)-4-thiazolecarboxylic acid ethyl ester; ethyl 2-(4-nitrophenyl)-1,3-thiazole-4-carboxylate |
IUPAC Name: | ethyl 2-(4-nitrophenyl)-1,3-thiazole-4-carboxylate |
Description: | Ethyl 2-(4-Nitrophenyl)thiazole-4-carboxylate (CAS# 78979-64-3) is a useful research chemical. |
Molecular Weight: | 278.28 |
Molecular Formula: | C12H10N2O4S |
Canonical SMILES: | CCOC(=O)C1=CSC(=N1)C2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C12H10N2O4S/c1-2-18-12(15)10-7-19-11(13-10)8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3 |
InChI Key: | XQBNPFPSRBLFHV-UHFFFAOYSA-N |
Solubility: | 5.6 [ug/mL] (The mean of the results at pH 7.4) |
LogP: | 3.41820 |
Publication Number | Title | Priority Date |
TW-201010700-A | Diacylglycerol acyltransferase inhibitors | 20080825 |
US-2011196002-A1 | Diacylglycerol acyltransferase inhibitors | 20080825 |
US-8835428-B2 | Diacylglycerol acyltransferase inhibitors | 20080825 |
WO-2010023609-A1 | Oxazole, oxadiazole and thiazole derivatives as diacylglycerol acyltranferase inhibitors | 20080825 |
EP-1727808-A2 | Biaryl amino acids and their use in dna binding oligomers | 20040301 |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.03612798 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.03612798 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 113 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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