1-{3-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
1-{3-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-phenylethan-1-one
1-{3-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-phenylethan-1-one
Compound characteristics
| Compound ID: | S625-0721 |
| Compound Name: | 1-{3-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-phenylethan-1-one |
| Molecular Weight: | 417.51 |
| Molecular Formula: | C24 H27 N5 O2 |
| Smiles: | C(C(N1CCn2c(C1)nnc2[C@@H]1C[C@H](CN1Cc1ccccc1)O)=O)c1ccccc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.651 |
| logD: | 1.646 |
| logSw: | -1.663 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.408 |
| InChI Key: | KCMZLWWXCSBBQZ-SFTDATJTSA-N |