butyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
butyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
butyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D084-0780 |
| Compound Name: | butyl 3-{2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 362.41 |
| Molecular Formula: | C16 H18 N4 O4 S |
| Smiles: | CCCCOC(c1cccc(c1)NC(CSc1cnnc(n1)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.585 |
| logD: | 2.5659 |
| logSw: | -2.8459 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.054 |
| InChI Key: | RHEFBSFEHKZVQU-UHFFFAOYSA-N |