AC1NDFKO
2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: F0648-0712|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-(2-fluorophenyl)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-(2-fluorophenyl)acetamide|2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
| Molecular Formula | C21H16F2N6O3S |
|---|---|
| Molecular Weight | 470.09726 g/mol |
| LogP | 2.2437 |
| Topological Polar Surface Area | 125.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.09726 |
| Monoisotopic Mass | 470.09726 |
| Heavy Atoms | 33 |
| Complexity | 1386.2699 |
Chemical Identifiers
| CAS Number | 852154-09-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4)F |
Product Overview
AC1NDFKO (CAS 852154-09-7), with molecular formula C21H16F2N6O3S and molecular weight 470.09726 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.