6-({4-(4-ethoxyphenyl)-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-ethoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione
6-({4-(4-ethoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G856-2594 |
| Compound Name: | 6-({4-(4-ethoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)n1c(CC2=CC(NC(N2)=O)=O)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3964 |
| logD: | 1.947 |
| logSw: | -2.8023 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.348 |
| InChI Key: | AJTFDRKUOBHDPM-UHFFFAOYSA-N |