2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C510-0383 |
| Compound Name: | 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 500.56 |
| Molecular Formula: | C20 H20 N8 O4 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(CC2=CC(NC(N2)=O)=O)nnc1SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2015 |
| logD: | 0.752 |
| logSw: | -2.3337 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 128.602 |
| InChI Key: | NTJGRJPQZVYHRT-UHFFFAOYSA-N |