5-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5690 |
| Compound Name: | 5-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 489.04 |
| Molecular Formula: | C24 H29 Cl N4 O3 S |
| Smiles: | Cc1cc(ccc1[Cl])OCc1cc(ccc1OC)c1nnc(n1CCCN1CCOCC1)S |
| Stereo: | ACHIRAL |
| logP: | 4.4701 |
| logD: | 4.1257 |
| logSw: | -4.5812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.442 |
| InChI Key: | MGLAXNOSAIEZTD-UHFFFAOYSA-N |