ethyl 2-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D084-0782 |
| Compound Name: | ethyl 2-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C14 H14 N4 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1cnnc(n1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0865 |
| logD: | 1.0675 |
| logSw: | -2.306 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.062 |
| InChI Key: | GPQPSVPTGIBVEH-UHFFFAOYSA-N |