AC1NKEUU structure

AC1NKEUU

3-(2-fluorophenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

Also Known As: 3-(2-fluorophenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|3-(2-fluorophenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|3-(2-fluorophenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile|3-(2-FLUOROPHENYL)-6-OXO-8-(2,4,5-TRIMETHOXYPHENYL)-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE

CAS: 896089-97-7
Molecular Formula C23H22FN3O4S
Molecular Weight 455.1315 g/mol
LogP 4.07098
Topological Polar Surface Area 75.03 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 455.1315
Monoisotopic Mass 455.1315
Heavy Atoms 32
Complexity 1130.71

Chemical Identifiers

CAS Number 896089-97-7
SMILES COC1=CC(=C(C=C1C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=CC=C4F)OC)OC

Product Overview

AC1NKEUU (CAS 896089-97-7), with molecular formula C23H22FN3O4S and molecular weight 455.1315 g/mol. IUPAC: 3-(2-fluorophenyl)-6-oxo-8-(2,4,5-trimethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.

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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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