AC1NNKEM
N-[(2-chlorophenyl)methyl]-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F0648-0749|N-(2-chlorobenzyl)-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-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(o-chlorophenyl)methyl{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 | C22H18ClFN6O3S |
|---|---|
| Molecular Weight | 500.08337 g/mol |
| LogP | 2.4357 |
| Topological Polar Surface Area | 125.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.08337 |
| Monoisotopic Mass | 500.08337 |
| Heavy Atoms | 34 |
| Complexity | 1405.3282 |
Chemical Identifiers
| CAS Number | 852154-29-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4)Cl |
Product Overview
AC1NNKEM (CAS 852154-29-1), with molecular formula C22H18ClFN6O3S and molecular weight 500.08337 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.