5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8012-7201 |
| Compound Name: | 5-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-2-phenyl-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 358.38 |
| Molecular Formula: | C14 H14 N8 O2 S |
| Smiles: | Cn1cnnc1SCC(Nc1c(C(N)=O)nn(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4186 |
| logD: | -0.4221 |
| logSw: | -1.9822 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.684 |
| InChI Key: | RDSMWZHPUOANKG-UHFFFAOYSA-N |