AC1N4GIJ structure

AC1N4GIJ

N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide

Also Known As: F0507-1923|N-((5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)methyl)-3-methylbenzamide|N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide|N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide

CAS: 391916-86-2
Molecular Formula C27H27N5O3S
Molecular Weight 501.18347 g/mol
LogP 4.55354
Topological Polar Surface Area 98.14 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 9
Exact Mass 501.18347
Monoisotopic Mass 501.18347
Heavy Atoms 36
Complexity 1368.0991

Chemical Identifiers

CAS Number 391916-86-2
SMILES CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C)SCC(=O)NC4=CC=C(C=C4)OC

Product Overview

AC1N4GIJ (CAS 391916-86-2), with molecular formula C27H27N5O3S and molecular weight 501.18347 g/mol. IUPAC: N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide.

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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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