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-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S625-0007 |
| 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-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C19 H25 N5 O3 |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(Cc1cccc(c1)OC)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.0205 |
| logD: | -0.0258 |
| logSw: | -1.6076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.938 |
| InChI Key: | UNFNSFFILLKGCP-HOCLYGCPSA-N |