methyl 4,5-dimethoxy-2-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4,5-dimethoxy-2-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8015-6197 |
| Compound Name: | methyl 4,5-dimethoxy-2-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C20 H21 N5 O5 S |
| Smiles: | Cn1c(c2cccnc2)nnc1SCC(Nc1cc(c(cc1C(=O)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1344 |
| logD: | 0.8835 |
| logSw: | -1.9751 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.455 |
| InChI Key: | IOZXDQSOOFGOKJ-UHFFFAOYSA-N |