AC1N7BFQ
2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: F0648-0747|2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorobenzyl)acetamide|2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(4-fluorophenyl)methyl]acetamide|2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
| Molecular Formula | C22H18F2N6O3S |
|---|---|
| Molecular Weight | 484.1129 g/mol |
| LogP | 1.9214 |
| Topological Polar Surface Area | 125.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.1129 |
| Monoisotopic Mass | 484.1129 |
| Heavy Atoms | 34 |
| Complexity | 1386.0782 |
Chemical Identifiers
| CAS Number | 852154-28-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4)F |
Product Overview
AC1N7BFQ (CAS 852154-28-0), with molecular formula C22H18F2N6O3S and molecular weight 484.1129 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.