2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | C592-2241 |
| Compound Name: | 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 492.56 |
| Molecular Formula: | C24 H24 N6 O4 S |
| Smiles: | CCc1ccc(cc1)NC(CSc1nnc(CC2=CC(NC(N2)=O)=O)n1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9184 |
| logD: | 2.4689 |
| logSw: | -3.5294 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.671 |
| InChI Key: | BIZQXRVVNDZWCF-UHFFFAOYSA-N |