ChemDiv3_009600
6-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: ChemDiv3_009600|IDI1_027510|BRD-K02624495-001-01-0|F0648-0770|6-((5-((2-chloro-6-fluorobenzyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione|6-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione|6-[(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C20H14ClF2N5O2S |
|---|---|
| Molecular Weight | 461.0525 g/mol |
| LogP | 3.4586 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.0525 |
| Monoisotopic Mass | 461.0525 |
| Heavy Atoms | 31 |
| Complexity | 1302.4302 |
Chemical Identifiers
| CAS Number | 852154-44-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=CC(=O)NC(=O)N4)F |
Product Overview
ChemDiv3_009600 (CAS 852154-44-0), with molecular formula C20H14ClF2N5O2S and molecular weight 461.0525 g/mol. IUPAC: 6-[[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.