{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3-thiazol-4-yl)methanone
Chemical Structure Depiction of
{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3-thiazol-4-yl)methanone
{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3-thiazol-4-yl)methanone
Compound characteristics
| Compound ID: | S904-0512 |
| Compound Name: | {3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3-thiazol-4-yl)methanone |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C20 H22 N6 O2 S |
| Smiles: | C1[C@@H](c2nnc3CN(CCn23)C(c2cscn2)=O)N(Cc2ccccc2)C[C@H]1O |
| Stereo: | ABSOLUTE |
| logP: | 0.637 |
| logD: | 0.632 |
| logSw: | -1.8372 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.563 |
| InChI Key: | PTANUSGDQHYGRR-WBVHZDCISA-N |