1-[3-{(2S,4S)-4-hydroxy-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[3-{(2S,4S)-4-hydroxy-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
1-[3-{(2S,4S)-4-hydroxy-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S904-1811 |
| Compound Name: | 1-[3-{(2S,4S)-4-hydroxy-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C23 H31 N5 O4 |
| Smiles: | CC(C)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1C(CCc1ccc(cc1)OC)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2096 |
| logD: | 1.2096 |
| logSw: | -1.8767 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.973 |
| InChI Key: | CKPTWULAZZQULW-MJGOQNOKSA-N |