AC1MQXLY structure

AC1MQXLY

N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide

Also Known As: F0772-2111|N-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(piperidin-1-ylsulfonyl)benzamide|N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)methyl]-4-(piperidine-1-sulfonyl)benzamide|N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide

CAS: 310449-74-2
Molecular Formula C32H31F3N6O4S2
Molecular Weight 684.18005 g/mol
LogP 5.0721
Topological Polar Surface Area 117.5 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 9
Exact Mass 684.18005
Monoisotopic Mass 684.18005
Heavy Atoms 47
Complexity 1891.1761

Chemical Identifiers

CAS Number 310449-74-2
SMILES C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)SCC(=O)N5CCC6=CC=CC=C65

Product Overview

AC1MQXLY (CAS 310449-74-2), with molecular formula C32H31F3N6O4S2 and molecular weight 684.18005 g/mol. IUPAC: N-[[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide.

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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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