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-phenoxyethan-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-phenoxyethan-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-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S625-1671 |
| 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-phenoxyethan-1-one |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C18 H23 N5 O3 |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(COc1ccccc1)=O)O |
| Stereo: | ABSOLUTE |
| logP: | -0.6071 |
| logD: | -0.6534 |
| logSw: | -1.3365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.893 |
| InChI Key: | JGHLLWYAHHVRHH-ZFWWWQNUSA-N |