AC1LKQEF structure

AC1LKQEF

propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate

Also Known As: Oprea1_478748|AK-968/40729078|propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate|isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-thiophenecarboxylate|methylethyl 5-[N-(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromen-3-yl )carbonylamino]thiophene-3-carboxylate|propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}thiophene-3-carboxylate

CAS: 445016-31-9
Molecular Formula C28H26N2O6S
Molecular Weight 518.1512 g/mol
LogP 5.84956
Topological Polar Surface Area 114.71 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 518.1512
Monoisotopic Mass 518.1512
Heavy Atoms 37
Complexity 1598.2582

Chemical Identifiers

CAS Number 445016-31-9
SMILES CC1=CC(=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=CC=CC=C4OC3=O)C(=O)OC(C)C)C)C

Product Overview

AC1LKQEF (CAS 445016-31-9), with molecular formula C28H26N2O6S and molecular weight 518.1512 g/mol. IUPAC: propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-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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