2-(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}ethan-1-one
Chemical Structure Depiction of
2-(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}ethan-1-one
2-(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}ethan-1-one
Compound characteristics
Compound ID: | S903-0890 |
Compound Name: | 2-(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}ethan-1-one |
Molecular Weight: | 435.55 |
Molecular Formula: | C19 H29 N7 O3 S |
Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(Cn1cc(C)cn1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | -0.0296 |
logD: | -0.0297 |
logSw: | -1.2029 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 87.553 |
InChI Key: | BINPCVOFOKEEHX-UHFFFAOYSA-N |