2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0263 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7181 |
| logD: | 4.7144 |
| logSw: | -4.9435 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.34 |
| InChI Key: | YHJXQPVTLLJRRL-UHFFFAOYSA-N |