1-[(2S,4R)-4-hydroxy-2-{7-[(4-methoxyphenyl)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[(2S,4R)-4-hydroxy-2-{7-[(4-methoxyphenyl)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-1-yl]-2-methylpropan-1-one
1-[(2S,4R)-4-hydroxy-2-{7-[(4-methoxyphenyl)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S625-0770 |
| Compound Name: | 1-[(2S,4R)-4-hydroxy-2-{7-[(4-methoxyphenyl)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H29 N5 O4 |
| Smiles: | CC(C)C(N1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(Cc1ccc(cc1)OC)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7963 |
| logD: | 0.7963 |
| logSw: | -1.4657 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.973 |
| InChI Key: | XLPUOPDNDKTSMY-WMZOPIPTSA-N |