2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | S903-0860 |
| Compound Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C20 H30 N6 O4 S |
| Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(Cc1c(C)noc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6801 |
| logD: | 0.6801 |
| logSw: | -1.4474 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.814 |
| InChI Key: | YZIPRCIJJBUDKR-UHFFFAOYSA-N |