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
| 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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