1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(thiophen-2-yl)ethan-1-one
1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S903-0748 |
| Compound Name: | 1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C19 H27 N5 O3 S2 |
| Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(Cc1cccs1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1225 |
| logD: | 1.1224 |
| logSw: | -2.236 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.795 |
| InChI Key: | SKMODEGWANVKCH-UHFFFAOYSA-N |