ethyl 3-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 3-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
ethyl 3-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D084-0534 |
| Compound Name: | ethyl 3-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C15 H16 N4 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1c(C)nnc(n1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.86 |
| logD: | 1.8528 |
| logSw: | -2.5612 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.177 |
| InChI Key: | NOJNNWRIDPZTIM-UHFFFAOYSA-N |