methyl 4-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D084-0524 |
| Compound Name: | methyl 4-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C14 H14 N4 O4 S |
| Smiles: | Cc1c(nc(nn1)O)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1688 |
| logD: | 1.1615 |
| logSw: | -2.0886 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.598 |
| InChI Key: | IKKVXRCYVDJHOG-UHFFFAOYSA-N |