5-{4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8650 |
| Compound Name: | 5-{4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 473.04 |
| Molecular Formula: | C24 H29 Cl N4 O2 S |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCc1ccc(cc1)c1nnc(n1CCCN1CCOCC1)S |
| Stereo: | ACHIRAL |
| logP: | 4.7946 |
| logD: | 4.4503 |
| logSw: | -5.0163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.811 |
| InChI Key: | LVZFQYXLMXTPSK-UHFFFAOYSA-N |