4-(3-ethoxypropyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-ethoxypropyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
4-(3-ethoxypropyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5682 |
| Compound Name: | 4-(3-ethoxypropyl)-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C23 H29 N3 O2 S |
| Smiles: | CCOCCCn1c(c2cccc(COc3ccc(cc3)C(C)C)c2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.2832 |
| logD: | 4.9388 |
| logSw: | -5.2856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.169 |
| InChI Key: | IJRVWKQTMARKCE-UHFFFAOYSA-N |