AC1NQ5MG
2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
Also Known As: F0648-0826|2-((4-(4-chlorophenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluorophenyl)acetamide|2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide|2-{[4-(4-chlorophenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
| Molecular Formula | C21H16ClFN6O3S |
|---|---|
| Molecular Weight | 486.06772 g/mol |
| LogP | 2.758 |
| Topological Polar Surface Area | 125.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.06772 |
| Monoisotopic Mass | 486.06772 |
| Heavy Atoms | 33 |
| Complexity | 1388.2699 |
Chemical Identifiers
| CAS Number | 852154-81-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 |
Product Overview
AC1NQ5MG (CAS 852154-81-5), with molecular formula C21H16ClFN6O3S and molecular weight 486.06772 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.