AC1MNFPB
2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: F0648-0737|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-(3-nitrophenyl)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-(3-nitrophenyl)acetamide|2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
| Molecular Formula | C21H16FN7O5S |
|---|---|
| Molecular Weight | 497.09177 g/mol |
| LogP | 2.0128 |
| Topological Polar Surface Area | 168.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.09177 |
| Monoisotopic Mass | 497.09177 |
| Heavy Atoms | 35 |
| Complexity | 1485.235 |
Chemical Identifiers
| CAS Number | 852154-22-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4 |
Product Overview
AC1MNFPB (CAS 852154-22-4), with molecular formula C21H16FN7O5S and molecular weight 497.09177 g/mol. IUPAC: 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide.