5-{4-[(2,4-dichlorophenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{4-[(2,4-dichlorophenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
5-{4-[(2,4-dichlorophenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8586 |
| Compound Name: | 5-{4-[(2,4-dichlorophenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 465.44 |
| Molecular Formula: | C22 H26 Cl2 N4 O S |
| Smiles: | CCN(CC)CCCn1c(c2ccc(COc3ccc(cc3[Cl])[Cl])cc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.3151 |
| logD: | 5.3151 |
| logSw: | -5.998 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.69 |
| InChI Key: | WPIGCCXHWMYPBN-UHFFFAOYSA-N |