5-{5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8706 |
| Compound Name: | 5-{5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C21 H25 Cl N4 O3 S |
| Smiles: | Cc1cc(ccc1OCc1ccc(c2nnc(n2CCCN2CCOCC2)S)o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0441 |
| logD: | 3.7612 |
| logSw: | -4.2676 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.739 |
| InChI Key: | GQUBCGPZSGBZBG-UHFFFAOYSA-N |