AC1NXKBL structure

AC1NXKBL

diethyl (2Z)-5-amino-3-oxo-7-pyridin-3-yl-2-(pyridin-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

Also Known As: HMS646K04|SR-01000423494-1|diethyl (2Z)-5-amino-3-oxo-7-(pyridin-3-yl)-2-(pyridin-3-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate|(Z)-diethyl 5-amino-3-oxo-7-(pyridin-3-yl)-2-(pyridin-3-ylmethylene)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate|5-Amino-3-oxo-7-pyridin-3-yl-2-[1-pyridin-3-yl-meth-(E)-ylidene]-2,3-dihydro-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid diethyl ester|6,8-DIETHYL (2Z)-5-AMINO-3-OXO-7-(PYRIDIN-3-YL)-2-[(PYRIDIN-3-YL)METHYLIDENE]-2H,3H,7H-[1,3]THIAZOLO[3,2-A]PYRIDINE-6,8-DICARBOXYLATE|diethyl (2Z)-5-amino-3-oxo-7-pyridin-3-yl-2-(pyridin-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

CAS: 313381-90-7
Molecular Formula C24H22N4O5S
Molecular Weight 478.1311 g/mol
LogP 0.7302
Topological Polar Surface Area 126.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 6
Exact Mass 478.1311
Monoisotopic Mass 478.1311
Heavy Atoms 34
Complexity 1441.964

Chemical Identifiers

CAS Number 313381-90-7
SMILES CCOC(=O)C1=C(N2C(=C(C1C3=CN=CC=C3)C(=O)OCC)S/C(=C\C4=CN=CC=C4)/C2=O)N

Product Overview

AC1NXKBL (CAS 313381-90-7), with molecular formula C24H22N4O5S and molecular weight 478.1311 g/mol. IUPAC: diethyl (2Z)-5-amino-3-oxo-7-pyridin-3-yl-2-(pyridin-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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