1-[3-{(2S,4S)-1-[(2,3-dimethoxyphenyl)methyl]-4-hydroxypyrrolidin-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)-1-[(2,3-dimethoxyphenyl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
1-[3-{(2S,4S)-1-[(2,3-dimethoxyphenyl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S904-1845 |
| Compound Name: | 1-[3-{(2S,4S)-1-[(2,3-dimethoxyphenyl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C22 H31 N5 O4 |
| Smiles: | CC(C)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1Cc1cccc(c1OC)OC)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.952 |
| logD: | 0.8238 |
| logSw: | -1.6665 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.554 |
| InChI Key: | QAFJHOZKXDKZBC-SJORKVTESA-N |