2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0043 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(c(c1)NC(CSc1nnc(c2cc3ccccc3o2)n1C)=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.0395 |
| logD: | 5.0392 |
| logSw: | -5.0345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.343 |
| InChI Key: | KNRKVUOZFPUZSH-UHFFFAOYSA-N |