AC1NNKDP
ethyl 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: F0648-0745|ethyl 2-(2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate|ethyl 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate|ethyl 2-[2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]acetate
| Molecular Formula | C19H19FN6O5S |
|---|---|
| Molecular Weight | 462.11215 g/mol |
| LogP | 0.1452 |
| Topological Polar Surface Area | 151.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.11215 |
| Monoisotopic Mass | 462.11215 |
| Heavy Atoms | 32 |
| Complexity | 1191.6865 |
Chemical Identifiers
| CAS Number | 852154-26-8 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CC3=CC(=O)NC(=O)N3 |
Product Overview
AC1NNKDP (CAS 852154-26-8), with molecular formula C19H19FN6O5S and molecular weight 462.11215 g/mol. IUPAC: ethyl 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.