5-{4-[(4-ethylphenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{4-[(4-ethylphenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{4-[(4-ethylphenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6155 |
| Compound Name: | 5-{4-[(4-ethylphenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C24 H30 N4 O2 S |
| Smiles: | CCc1ccc(cc1)OCc1ccc(cc1)c1nnc(n1CCCN1CCOCC1)S |
| Stereo: | ACHIRAL |
| logP: | 4.0945 |
| logD: | 3.7501 |
| logSw: | -4.0157 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.811 |
| InChI Key: | MHRWSYAOWSQDCL-UHFFFAOYSA-N |