2-({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C510-0195 |
| Compound Name: | 2-({4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 484.56 |
| Molecular Formula: | C20 H20 N8 O3 S2 |
| Smiles: | Cc1ccc(C)c(c1)n1c(CC2=CC(NC(N2)=O)=O)nnc1SCC(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7655 |
| logD: | 1.316 |
| logSw: | -2.5882 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.177 |
| InChI Key: | AUKGVOMWLIRZRL-UHFFFAOYSA-N |