5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(morpholin-4-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(morpholin-4-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(morpholin-4-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8008-1458 |
| Compound Name: | 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-[(morpholin-4-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 348.47 |
| Molecular Formula: | C17 H24 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)OCC1=NN(CN2CCOCC2)C(N1C)=S |
| Stereo: | ACHIRAL |
| logP: | 2.4758 |
| logD: | 0.6042 |
| logSw: | -2.5544 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.565 |
| InChI Key: | VRUDRKNXPMDVDQ-UHFFFAOYSA-N |