AC1N5LJZ structure

AC1N5LJZ

ethyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: AK-968/41017649|ethyl 2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(2-(3,4-dimethylphenoxy)butanamido)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzo [b]thiophene-3-carboxylate

CAS: 438196-86-2
Molecular Formula C25H33NO4S
Molecular Weight 443.21304 g/mol
LogP 5.85264
Topological Polar Surface Area 64.63 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 8
Exact Mass 443.21304
Monoisotopic Mass 443.21304
Heavy Atoms 31
Complexity 949.2389

Chemical Identifiers

CAS Number 438196-86-2
SMILES CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C(CC)OC3=CC(=C(C=C3)C)C

Product Overview

AC1N5LJZ (CAS 438196-86-2), with molecular formula C25H33NO4S and molecular weight 443.21304 g/mol. IUPAC: ethyl 2-[2-(3,4-dimethylphenoxy)butanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.

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