AC1NDB7Q
N-(1,3-benzodioxol-5-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00684779-01|F0648-0730|N-(1,3-benzodioxol-5-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide|N-(benzo[d][1,3]dioxol-5-yl)-2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(2H-1,3-benzodioxol-5-yl){5-[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl]-4-(p-fluorophenyl)-4H-1,2,4-triazol-3-ylthio}acetamide
| Molecular Formula | C22H17FN6O5S |
|---|---|
| Molecular Weight | 496.09653 g/mol |
| LogP | 1.8333 |
| Topological Polar Surface Area | 143.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.09653 |
| Monoisotopic Mass | 496.09653 |
| Heavy Atoms | 35 |
| Complexity | 1485.7529 |
Chemical Identifiers
| CAS Number | 852154-21-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CC5=CC(=O)NC(=O)N5 |
Product Overview
AC1NDB7Q (CAS 852154-21-3), with molecular formula C22H17FN6O5S and molecular weight 496.09653 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.