3-(4-methyl-1H-pyrazol-1-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-(4-methyl-1H-pyrazol-1-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-(4-methyl-1H-pyrazol-1-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: | S903-0889 |
| Compound Name: | 3-(4-methyl-1H-pyrazol-1-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: | 449.57 |
| Molecular Formula: | C20 H31 N7 O3 S |
| Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(CCn1cc(C)cn1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1689 |
| logD: | 0.1688 |
| logSw: | -1.2256 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.532 |
| InChI Key: | OOUGHEMTWWLTLX-UHFFFAOYSA-N |