3-(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}propan-1-one
Chemical Structure Depiction of
3-(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}propan-1-one
3-(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}propan-1-one
Compound characteristics
| Compound ID: | S903-0847 |
| Compound Name: | 3-(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}propan-1-one |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C21 H32 N6 O4 S |
| Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(CCc1c(C)noc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7885 |
| logD: | 0.7885 |
| logSw: | -1.4241 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.814 |
| InChI Key: | WUHOAPDKXGRRKX-UHFFFAOYSA-N |