dimethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzene-1,4-dicarboxylate
dimethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | D084-0561 |
| Compound Name: | dimethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzene-1,4-dicarboxylate |
| Molecular Weight: | 392.39 |
| Molecular Formula: | C16 H16 N4 O6 S |
| Smiles: | Cc1c(nc(nn1)O)SCC(Nc1cc(ccc1C(=O)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8929 |
| logD: | 0.8341 |
| logSw: | -2.3796 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.074 |
| InChI Key: | NLZUWMQTUNVIMT-UHFFFAOYSA-N |