2-(2-fluorophenyl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(2-fluorophenyl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
2-(2-fluorophenyl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | S625-1643 |
| Compound Name: | 2-(2-fluorophenyl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C18 H22 F N5 O2 |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(Cc1ccccc1F)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.1533 |
| logD: | 0.1069 |
| logSw: | -1.4133 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.394 |
| InChI Key: | FBDGNYJSBKAOOV-ZFWWWQNUSA-N |