NCGC00680752-01 structure

NCGC00680752-01

N-(5-chloro-2-methoxyphenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

Also Known As: NCGC00680752-01|F3411-6858|N-(5-chloro-2-methoxyphenyl)-2-({5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide|N-(5-chloro-2-methoxyphenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide|N-(5-chloro-2-methoxyphenyl)-2-((5-oxo-4-propyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio)acetamide

CAS: 1111151-10-0
Molecular Formula C21H20ClN5O3S
Molecular Weight 457.09753 g/mol
LogP 3.847
Topological Polar Surface Area 90.52 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 457.09753
Monoisotopic Mass 457.09753
Heavy Atoms 31
Complexity 1334.0873

Chemical Identifiers

CAS Number 1111151-10-0
SMILES CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=C(C=CC(=C4)Cl)OC

Product Overview

NCGC00680752-01 (CAS 1111151-10-0), with molecular formula C21H20ClN5O3S and molecular weight 457.09753 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.

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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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