7-(butane-1-sulfonyl)-3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Chemical Structure Depiction of
7-(butane-1-sulfonyl)-3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
7-(butane-1-sulfonyl)-3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Compound characteristics
| Compound ID: | S585-1114 |
| Compound Name: | 7-(butane-1-sulfonyl)-3-[1-(ethanesulfonyl)piperidin-3-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C16 H29 N5 O4 S2 |
| Smiles: | CCCCS(N1CCn2c(C1)nnc2C1CCCN(C1)S(CC)(=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3285 |
| logD: | 0.156 |
| logSw: | -1.2781 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.36 |
| InChI Key: | QJYAKJFQOMCCDH-AWEZNQCLSA-N |