{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of
{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | S903-0899 |
| Compound Name: | {3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C20 H31 N7 O3 S |
| Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(c1c(C)nn(C)c1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2819 |
| logD: | -0.2819 |
| logSw: | -1.0918 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.143 |
| InChI Key: | NYPHRBJYVDKFHE-UHFFFAOYSA-N |