2-[(morpholin-4-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-[(morpholin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-3-thione
2-[(morpholin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-3-thione
Compound characteristics
| Compound ID: | 8014-1859 |
| Compound Name: | 2-[(morpholin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-3-thione |
| Molecular Weight: | 268.38 |
| Molecular Formula: | C12 H20 N4 O S |
| Smiles: | C1CCC2=NN(CN3CCOCC3)C(N2CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 1.0988 |
| logD: | -2.0809 |
| logSw: | -1.3984 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.543 |
| InChI Key: | BYSDBDWTRVKFGT-UHFFFAOYSA-N |