methyl 4,5-dimethoxy-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
methyl 4,5-dimethoxy-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8015-8031 |
| Compound Name: | methyl 4,5-dimethoxy-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 366.39 |
| Molecular Formula: | C15 H18 N4 O5 S |
| Smiles: | Cn1cnnc1SCC(Nc1cc(c(cc1C(=O)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5959 |
| logD: | 0.379 |
| logSw: | -2.2511 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.619 |
| InChI Key: | QGWMNAWELIVFTG-UHFFFAOYSA-N |