AC1LY4EJ structure

AC1LY4EJ

4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methylphenyl]-2-methylphthalazin-1-one

Also Known As: ChemDiv3_005361|CBKinase1_004050|CBKinase1_016450|BAS 06574731|IDI1_023271|BRD-K57882042-001-03-2|4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methylphenyl]-2-methylphthalazin-1-one|4-(3-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-methylphenyl)-2-methylphthalazin-1(2H)-one|4-(3-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-METHYLPHENYL)-2-METHYL-1,2-DIHYDROPHTHALAZIN-1-ONE|4-(3-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-methylphenyl)-2-methylphthalazin-1(2H)-one

CAS: 694465-97-9
Molecular Formula C23H22N4OS
Molecular Weight 402.15143 g/mol
LogP 4.60806
Topological Polar Surface Area 60.67 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 402.15143
Monoisotopic Mass 402.15143
Heavy Atoms 29
Complexity 1259.5978

Chemical Identifiers

CAS Number 694465-97-9
SMILES CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CSC4=NC(=CC(=N4)C)C

Product Overview

AC1LY4EJ (CAS 694465-97-9), with molecular formula C23H22N4OS and molecular weight 402.15143 g/mol. IUPAC: 4-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-methylphenyl]-2-methylphthalazin-1-one.

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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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