AC1MQF52
ethyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0648-0786|ethyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate|ethyl 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate|ethyl 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
| Molecular Formula | C17H16FN5O4S |
|---|---|
| Molecular Weight | 405.0907 g/mol |
| LogP | 1.029 |
| Topological Polar Surface Area | 122.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.0907 |
| Monoisotopic Mass | 405.0907 |
| Heavy Atoms | 28 |
| Complexity | 1061.6675 |
Chemical Identifiers
| CAS Number | 852154-54-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CC3=CC(=O)NC(=O)N3 |
Product Overview
AC1MQF52 (CAS 852154-54-2), with molecular formula C17H16FN5O4S and molecular weight 405.0907 g/mol. IUPAC: ethyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
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