2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-hydroxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-hydroxyphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-hydroxyphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0119 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-hydroxyphenyl)acetamide |
| Molecular Weight: | 440.91 |
| Molecular Formula: | C21 H17 Cl N4 O3 S |
| Smiles: | C=CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1cc(ccc1O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7336 |
| logD: | 4.732 |
| logSw: | -4.8033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.512 |
| InChI Key: | RQNCXQPIJAZVQK-UHFFFAOYSA-N |