1-{3-[7-(phenylmethanesulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{3-[7-(phenylmethanesulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}ethan-1-one
1-{3-[7-(phenylmethanesulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S585-1789 |
| Compound Name: | 1-{3-[7-(phenylmethanesulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C19 H25 N5 O3 S |
| Smiles: | CC(N1CCCC(C1)c1nnc2CN(CCn12)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2965 |
| logD: | 0.2143 |
| logSw: | -1.9854 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.599 |
| InChI Key: | VURZTEUDADBDDV-KRWDZBQOSA-N |