AC1MQJL4 structure

AC1MQJL4

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,2,4,5-tetrahydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

Also Known As: Oprea1_792342|SR-01000444345-1|F0473-0244|4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(1,2,4,5-tetrahydronaphtho[1,2-d]thiazol-2-yl)benzamide|N-{1H,2H,4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide|4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,2,4,5-tetrahydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

CAS: 391876-47-4
Molecular Formula C27H25N3O3S2
Molecular Weight 503.13373 g/mol
LogP 4.0984
Topological Polar Surface Area 78.51 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 503.13373
Monoisotopic Mass 503.13373
Heavy Atoms 35
Complexity 1448.503

Chemical Identifiers

CAS Number 391876-47-4
SMILES C1CC2=C(C3=CC=CC=C31)NC(S2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

Product Overview

AC1MQJL4 (CAS 391876-47-4), with molecular formula C27H25N3O3S2 and molecular weight 503.13373 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,2,4,5-tetrahydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.

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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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