propyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
propyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
propyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D084-0778 |
| Compound Name: | propyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C15 H16 N4 O4 S |
| Smiles: | CCCOC(c1cccc(c1)NC(CSc1cnnc(n1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.112 |
| logD: | 2.093 |
| logSw: | -2.7091 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.054 |
| InChI Key: | SSBBGNUGMJDZGA-UHFFFAOYSA-N |