1-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
1-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S902-1152 |
| Compound Name: | 1-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C18 H27 N7 O3 S |
| Smiles: | Cc1cnn(CCC(N2CCn3c(C2)nnc3C2CCCCN2S(C)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.488 |
| logD: | -0.4883 |
| logSw: | -1.1409 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.495 |
| InChI Key: | TWDNYJCXJICUNL-HNNXBMFYSA-N |