1-{(2S,4R)-4-hydroxy-2-[7-(4-methoxy-2-methylbenzoyl)-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-methoxy-2-methylbenzoyl)-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-methoxy-2-methylbenzoyl)-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: | S625-0802 |
| Compound Name: | 1-{(2S,4R)-4-hydroxy-2-[7-(4-methoxy-2-methylbenzoyl)-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(c1ccc(cc1C)OC)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0178 |
| logD: | 1.0178 |
| logSw: | -2.3805 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.5 |
| InChI Key: | IMUHQWCAISLIMD-YJBOKZPZSA-N |