N-(2,5-dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,5-dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9423 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C18 H19 N5 O3 S |
| Smiles: | Cn1c(c2cccnc2)nnc1SCC(Nc1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4177 |
| logD: | 1.3833 |
| logSw: | -1.8656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.194 |
| InChI Key: | KPBSBVRFCWZKJY-UHFFFAOYSA-N |