2-({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenoxyethyl)acetamide
Chemical Structure Depiction of
2-({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenoxyethyl)acetamide
2-({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenoxyethyl)acetamide
Compound characteristics
| Compound ID: | 8012-4382 |
| Compound Name: | 2-({5-[4-(decyloxy)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenoxyethyl)acetamide |
| Molecular Weight: | 550.76 |
| Molecular Formula: | C31 H42 N4 O3 S |
| Smiles: | CCCCCCCCCCOc1ccc(cc1)c1nnc(n1CC=C)SCC(NCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.3895 |
| logD: | 8.3895 |
| logSw: | -5.7244 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.368 |
| InChI Key: | PLFCTSFRXWNNAT-UHFFFAOYSA-N |