1-{(2S,4R)-2-[7-(2,5-difluorobenzoyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-hydroxypyrrolidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{(2S,4R)-2-[7-(2,5-difluorobenzoyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-hydroxypyrrolidin-1-yl}-2-methylpropan-1-one
1-{(2S,4R)-2-[7-(2,5-difluorobenzoyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-hydroxypyrrolidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S625-0790 |
| Compound Name: | 1-{(2S,4R)-2-[7-(2,5-difluorobenzoyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-hydroxypyrrolidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 419.43 |
| Molecular Formula: | C20 H23 F2 N5 O3 |
| Smiles: | CC(C)C(N1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(c1cc(ccc1F)F)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9211 |
| logD: | 0.9211 |
| logSw: | -2.2098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.957 |
| InChI Key: | KWQJIFUGMSHYKP-BBRMVZONSA-N |