N-(2-hydroxyethyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-hydroxyethyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-hydroxyethyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D419-0083 |
| Compound Name: | N-(2-hydroxyethyl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C19 H20 N4 O3 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(NCCO)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9584 |
| logD: | 1.9583 |
| logSw: | -2.348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.496 |
| InChI Key: | MSZMYLLSLPCFQI-UHFFFAOYSA-N |