AC1N33CI
6-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: NCGC00290312-01|AB01284287-01|F0648-0790|6-((5-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione|6-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione|6-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
| Molecular Formula | C21H15ClFN5O3S |
|---|---|
| Molecular Weight | 471.05682 g/mol |
| LogP | 3.0022 |
| Topological Polar Surface Area | 113.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.05682 |
| Monoisotopic Mass | 471.05682 |
| Heavy Atoms | 32 |
| Complexity | 1352.0632 |
Chemical Identifiers
| CAS Number | 852154-58-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4)Cl |
Product Overview
AC1N33CI (CAS 852154-58-6), with molecular formula C21H15ClFN5O3S and molecular weight 471.05682 g/mol. IUPAC: 6-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.