5-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6083 |
| Compound Name: | 5-{5-[(2,5-dimethylphenoxy)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)OCc1ccc(c2nnc(n2CCCN2CCOCC2)S)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.464 |
| logD: | 3.181 |
| logSw: | -3.368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.739 |
| InChI Key: | DVXKKLICGUUQIU-UHFFFAOYSA-N |