2-(2,5-dimethoxyphenyl)-1-{3-[(2S,4S)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(2,5-dimethoxyphenyl)-1-{3-[(2S,4S)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
2-(2,5-dimethoxyphenyl)-1-{3-[(2S,4S)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | S904-0092 |
| Compound Name: | 2-(2,5-dimethoxyphenyl)-1-{3-[(2S,4S)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C22 H31 N5 O4 |
| Smiles: | CC(C)N1C[C@H](C[C@H]1c1nnc2CN(CCn12)C(Cc1cc(ccc1OC)OC)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 1.1348 |
| logD: | 0.9982 |
| logSw: | -2.1416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.74 |
| InChI Key: | MJWAHGVIVUQNRF-AEFFLSMTSA-N |