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-(5-ethyl-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-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)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-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C510-0330 |
| 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-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 500.56 |
| Molecular Formula: | C20 H20 N8 O4 S2 |
| Smiles: | CCc1nnc(NC(CSc2nnc(CC3=CC(NC(N3)=O)=O)n2c2ccc(cc2)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.579 |
| logD: | 1.1296 |
| logSw: | -2.3197 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 129.711 |
| InChI Key: | HBIVGCKDNAHNEI-UHFFFAOYSA-N |