3-methyl-1-{4-[7-(phenylmethanesulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one
Chemical Structure Depiction of
3-methyl-1-{4-[7-(phenylmethanesulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one
3-methyl-1-{4-[7-(phenylmethanesulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | S903-0126 |
| Compound Name: | 3-methyl-1-{4-[7-(phenylmethanesulfonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}butan-1-one |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5085 |
| logD: | 1.3213 |
| logSw: | -2.2112 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.671 |
| InChI Key: | XHWKVGOXRFVPFU-UHFFFAOYSA-N |