2-(3-fluorophenyl)-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-(3-fluorophenyl)-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-(3-fluorophenyl)-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: | S903-0747 |
| Compound Name: | 2-(3-fluorophenyl)-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: | 449.55 |
| Molecular Formula: | C21 H28 F N5 O3 S |
| Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(Cc1cccc(c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7389 |
| logD: | 1.7389 |
| logSw: | -2.4506 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.776 |
| InChI Key: | QSFFQSYDBUBOHC-UHFFFAOYSA-N |