ChemDiv1_009489 structure

ChemDiv1_009489

N-(5-bromo-2-pyridinyl)-2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Also Known As: ChemDiv1_009489|Salor-int l219770-1ea|HMS613P07|SR-01000485389-1|N-(5-BROMO-2-PYRIDINYL)-2-METHYL-4-[5-METHYL-2-(METHYLSULFANYL)-3-THIENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE|648-357-7|N-(5-BROMO-2-PYRIDINYL)-2-METHYL-4-(5-METHYL-2-(METHYLSULFANYL)-3-THIENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE|N-(5-Bromopyridin-2-yl)-2-methyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide|N-(5-bromopyridin-2-yl)-2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide|N-(5-BROMOPYRIDIN-2-YL)-2-METHYL-4-[5-METHYL-2-(METHYLSULFANYL)THIOPHEN-3-YL]-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXAMIDE

CAS: 441783-92-2
Molecular Formula C22H22BrN3O2S2
Molecular Weight 503.0337 g/mol
LogP 5.54252
Topological Polar Surface Area 71.09 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 503.0337
Monoisotopic Mass 503.0337
Heavy Atoms 30
Complexity 1086.3022

Chemical Identifiers

CAS Number 441783-92-2
SMILES CC1=CC(=C(S1)SC)C2C3=C(CCCC3=O)NC(=C2C(=O)NC4=NC=C(C=C4)Br)C

Product Overview

ChemDiv1_009489 (CAS 441783-92-2), with molecular formula C22H22BrN3O2S2 and molecular weight 503.0337 g/mol. IUPAC: N-(5-bromo-2-pyridinyl)-2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

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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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