AC1NC0P6 structure

AC1NC0P6

2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenylacetamide

Also Known As: 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide|2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenylacetamide|2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N,N-diphenylacetamide

CAS: 799770-80-2
Molecular Formula C31H27N3O4S
Molecular Weight 537.17224 g/mol
LogP 5.92798
Topological Polar Surface Area 102.66 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 537.17224
Monoisotopic Mass 537.17224
Heavy Atoms 39
Complexity 1470.2886

Chemical Identifiers

CAS Number 799770-80-2
SMILES COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)C#N)O

Product Overview

AC1NC0P6 (CAS 799770-80-2), with molecular formula C31H27N3O4S and molecular weight 537.17224 g/mol. IUPAC: 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenylacetamide.

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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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