{3-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(4-methoxyphenyl)methanone
Chemical Structure Depiction of
{3-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(4-methoxyphenyl)methanone
{3-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | S625-0285 |
| Compound Name: | {3-[(2S,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(4-methoxyphenyl)methanone |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C24 H27 N5 O3 |
| Smiles: | COc1ccc(cc1)C(N1CCn2c(C1)nnc2[C@@H]1C[C@H](CN1Cc1ccccc1)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2658 |
| logD: | 1.2608 |
| logSw: | -1.6766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.479 |
| InChI Key: | MHHLBGRYMJSXTO-FPOVZHCZSA-N |