AC1NQ72P
6-[[4-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0876|6-((4-(4-chlorophenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione|6-[[4-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione|6-{[4-(4-chlorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C20H15ClFN5O2S |
|---|---|
| Molecular Weight | 443.0619 g/mol |
| LogP | 3.3195 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.0619 |
| Monoisotopic Mass | 443.0619 |
| Heavy Atoms | 30 |
| Complexity | 1271.2974 |
Chemical Identifiers
| CAS Number | 852154-97-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 |
Product Overview
AC1NQ72P (CAS 852154-97-3), with molecular formula C20H15ClFN5O2S and molecular weight 443.0619 g/mol. IUPAC: 6-[[4-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
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