AC1NXQQB structure

AC1NXQQB

8-O-ethyl 6-O-methyl (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: HMS646O04|SR-01000423496-1|(Z)-8-ethyl 6-methyl 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-pyridin-3-ylmethylene-2,3-dihydro-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid 8-ethyl ester 6-methyl ester|8-ethyl 6-methyl (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|8-ETHYL 6-METHYL (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|8-O-ethyl 6-O-methyl (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: 313381-92-9
Molecular Formula C23H20N4O5S
Molecular Weight 464.11545 g/mol
LogP 0.3401
Topological Polar Surface Area 126.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 5
Exact Mass 464.11545
Monoisotopic Mass 464.11545
Heavy Atoms 33
Complexity 1424.975

Chemical Identifiers

CAS Number 313381-92-9
SMILES CCOC(=O)C1=C2N(C(=C(C1C3=CN=CC=C3)C(=O)OC)N)C(=O)/C(=C/C4=CN=CC=C4)/S2

Product Overview

AC1NXQQB (CAS 313381-92-9), with molecular formula C23H20N4O5S and molecular weight 464.11545 g/mol. IUPAC: 8-O-ethyl 6-O-methyl (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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