AC1N4E8Z structure

AC1N4E8Z

methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenylthiophene-2-carboxylate

Also Known As: Oprea1_309296|SR-01000445908-1|F0816-0634|methyl 3-(4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzamido)-5-phenylthiophene-2-carboxylate|methyl 5-phenyl-3-[4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamido]thiophene-2-carboxylate|methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenylthiophene-2-carboxylate

CAS: 397289-83-7
Molecular Formula C28H24N2O5S2
Molecular Weight 532.1127 g/mol
LogP 5.201
Topological Polar Surface Area 92.78 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 532.1127
Monoisotopic Mass 532.1127
Heavy Atoms 37
Complexity 1561.8777

Chemical Identifiers

CAS Number 397289-83-7
SMILES COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Product Overview

AC1N4E8Z (CAS 397289-83-7), with molecular formula C28H24N2O5S2 and molecular weight 532.1127 g/mol. IUPAC: methyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenylthiophene-2-carboxylate.

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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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