AC1M1UJA structure

AC1M1UJA

2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide

Also Known As: Oprea1_306988|NCGC00135507-01|2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide|G856-0957|F0580-0328|2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide|2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(3-fluorophenyl)acetamide

CAS: 536705-75-6
Molecular Formula C26H21FN4O2S
Molecular Weight 472.13693 g/mol
LogP 5.35374
Topological Polar Surface Area 79.78 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 472.13693
Monoisotopic Mass 472.13693
Heavy Atoms 34
Complexity 1602.8164

Chemical Identifiers

CAS Number 536705-75-6
SMILES CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC(=CC=C5)F)C

Product Overview

AC1M1UJA (CAS 536705-75-6), with molecular formula C26H21FN4O2S and molecular weight 472.13693 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.

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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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