AC1LMJQK structure

AC1LMJQK

methyl 5-[(3-chlorophenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate

Also Known As: Oprea1_182124|Oprea1_470848|BAS 02497745|Methyl 5-((3-chlorophenyl)carbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate|Methyl5-((3-chlorophenyl)carbamoyl)-2-(4-fluorobenzamido)-4-methylthiophene-3-carboxylate|5-(3-Chloro-phenylcarbamoyl)-2-(4-fluoro-benzoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester|methyl 5-[(3-chlorophenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate

CAS: 335409-80-8
Molecular Formula C21H16ClFN2O4S
Molecular Weight 446.05032 g/mol
LogP 5.14022
Topological Polar Surface Area 84.5 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 446.05032
Monoisotopic Mass 446.05032
Heavy Atoms 30
Complexity 1128.535

Chemical Identifiers

CAS Number 335409-80-8
SMILES CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Cl

Product Overview

AC1LMJQK (CAS 335409-80-8), with molecular formula C21H16ClFN2O4S and molecular weight 446.05032 g/mol. IUPAC: methyl 5-[(3-chlorophenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-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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