AC1NCI63 structure

AC1NCI63

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

Also Known As: Oprea1_319638|F0580-0275|N-(3-chloro-4-methylphenyl)-2-((4-oxo-3-(p-tolyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide|N-(3-chloro-4-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide|N-(3-chloro-4-methylphenyl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide

CAS: 536705-22-3
Molecular Formula C26H21ClN4O2S
Molecular Weight 488.10736 g/mol
LogP 5.86804
Topological Polar Surface Area 79.78 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 488.10736
Monoisotopic Mass 488.10736
Heavy Atoms 34
Complexity 1605.8164

Chemical Identifiers

CAS Number 536705-22-3
SMILES CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC(=C(C=C5)C)Cl

Product Overview

AC1NCI63 (CAS 536705-22-3), with molecular formula C26H21ClN4O2S and molecular weight 488.10736 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]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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