5-{3-[(4-bromophenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(4-bromophenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{3-[(4-bromophenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6017 |
| Compound Name: | 5-{3-[(4-bromophenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 489.43 |
| Molecular Formula: | C22 H25 Br N4 O2 S |
| Smiles: | C(CN1CCOCC1)Cn1c(c2cccc(COc3ccc(cc3)[Br])c2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.0602 |
| logD: | 3.7158 |
| logSw: | -4.1301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.811 |
| InChI Key: | GOZPFJPOKCTSJW-UHFFFAOYSA-N |