1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(4-methoxyphenoxy)ethan-1-one
Chemical Structure Depiction of
1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(4-methoxyphenoxy)ethan-1-one
1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(4-methoxyphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S625-6066 |
| Compound Name: | 1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-(4-methoxyphenoxy)ethan-1-one |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C19 H25 N5 O4 |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(COc1ccc(cc1)OC)=O)O |
| Stereo: | ABSOLUTE |
| logP: | -0.5962 |
| logD: | -0.6425 |
| logSw: | -1.4006 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.437 |
| InChI Key: | UBCZTFVDENVJON-BBRMVZONSA-N |