AC1N636C
2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: F0648-0860|2-((4-(4-chlorophenyl)-5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorobenzyl)acetamide|2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide|2-{[4-(4-chlorophenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]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 | 1388.0782 |
Chemical Identifiers
| CAS Number | 852154-89-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4)F |
Product Overview
AC1N636C (CAS 852154-89-3), with molecular formula C22H18ClFN6O3S and molecular weight 500.08337 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
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