4-[3-(diethylamino)propyl]-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[3-(diethylamino)propyl]-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
4-[3-(diethylamino)propyl]-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8583 |
| Compound Name: | 4-[3-(diethylamino)propyl]-5-(3-{[4-(propan-2-yl)phenoxy]methyl}phenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 438.63 |
| Molecular Formula: | C25 H34 N4 O S |
| Smiles: | CCN(CC)CCCn1c(c2cccc(COc3ccc(cc3)C(C)C)c2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.7084 |
| logD: | 5.7084 |
| logSw: | -5.5181 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.603 |
| InChI Key: | JOSDBSYIZXJWNS-UHFFFAOYSA-N |