6-({4-(4-fluorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-({4-(4-fluorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione
6-({4-(4-fluorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G856-2597 |
| Compound Name: | 6-({4-(4-fluorophenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C21 H16 F N5 O3 S |
| Smiles: | C(C1=CC(NC(N1)=O)=O)c1nnc(n1c1ccc(cc1)F)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0565 |
| logD: | 1.6071 |
| logSw: | -2.623 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.224 |
| InChI Key: | YAELNUJCPUPUOM-UHFFFAOYSA-N |