butyl 4-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
butyl 4-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
butyl 4-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D084-0528 |
| Compound Name: | butyl 4-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C17 H20 N4 O4 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(CSc1c(C)nnc(n1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6641 |
| logD: | 2.6569 |
| logSw: | -2.926 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.471 |
| InChI Key: | HFSHXXHPNONYSQ-UHFFFAOYSA-N |