2-methyl-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}butan-1-one
Chemical Structure Depiction of
2-methyl-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}butan-1-one
2-methyl-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}butan-1-one
Compound characteristics
| Compound ID: | S903-1716 |
| Compound Name: | 2-methyl-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}butan-1-one |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C18 H31 N5 O3 S |
| Smiles: | CCC(C)C(N1CCn2c(C1)nnc2C1CCN(CC1)S(C(C)C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2718 |
| logD: | 1.2717 |
| logSw: | -1.6099 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.575 |
| InChI Key: | PVUDYFDKEWPDLD-AWEZNQCLSA-N |