AC1MDHQD structure

AC1MDHQD

2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Also Known As: CBMicro_039088|Oprea1_266359|Oprea1_390583|BIM-0039185.P001|AE-641/13516272|SR-01000429839-1|2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|2-(2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide|2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|2-[2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-3-METHYLBUTANAMIDO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE|2-[2-(1,3-dioxobenzo[c]azolin-2-yl)-3-methylbutanoylamino]-6-methyl-4,5,6,7-te trahydrobenzo[b]thiophene-3-carboxamide

CAS: 305375-71-7
Molecular Formula C23H25N3O4S
Molecular Weight 439.1566 g/mol
LogP 3.2311
Topological Polar Surface Area 109.57 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 439.1566
Monoisotopic Mass 439.1566
Heavy Atoms 31
Complexity 1069.2363

Chemical Identifiers

CAS Number 305375-71-7
SMILES CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C(C)C)N3C(=O)C4=CC=CC=C4C3=O

Product Overview

AC1MDHQD (CAS 305375-71-7), with molecular formula C23H25N3O4S and molecular weight 439.1566 g/mol. IUPAC: 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

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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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