5-{3-[(3-bromophenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(3-bromophenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
5-{3-[(3-bromophenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8709 |
| Compound Name: | 5-{3-[(3-bromophenoxy)methyl]phenyl}-4-[3-(diethylamino)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 475.45 |
| Molecular Formula: | C22 H27 Br N4 O S |
| Smiles: | CCN(CC)CCCn1c(c2cccc(COc3cccc(c3)[Br])c2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.1364 |
| logD: | 5.1364 |
| logSw: | -5.119 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.603 |
| InChI Key: | IUNZUAAUCJEPCH-UHFFFAOYSA-N |