1-{3-[(2S,4S)-4-hydroxy-1-(4-methoxy-2-methylbenzoyl)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-(4-methoxy-2-methylbenzoyl)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-(4-methoxy-2-methylbenzoyl)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: | S904-1276 |
| Compound Name: | 1-{3-[(2S,4S)-4-hydroxy-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-methylpropan-1-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H29 N5 O4 |
| Smiles: | CC(C)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1C(c1ccc(cc1C)OC)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1141 |
| logD: | 1.1141 |
| logSw: | -2.3938 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.5 |
| InChI Key: | OEQISHRLSYFXFR-QAPCUYQASA-N |