2-[(piperidin-1-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-3-thione
Chemical Structure Depiction of
2-[(piperidin-1-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-3-thione
2-[(piperidin-1-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-3-thione
Compound characteristics
| Compound ID: | 8017-4185 |
| Compound Name: | 2-[(piperidin-1-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-3-thione |
| Molecular Weight: | 266.41 |
| Molecular Formula: | C13 H22 N4 S |
| Smiles: | C1CCC2=NN(CN3CCCCC3)C(N2CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.2058 |
| logD: | -3.409 |
| logSw: | -2.1512 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.6346 |
| InChI Key: | VDAWJHVRHOQBSD-UHFFFAOYSA-N |