1-[3-{(2S,4S)-1-[3-(benzenesulfonyl)propanoyl]-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-[3-(benzenesulfonyl)propanoyl]-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-[3-(benzenesulfonyl)propanoyl]-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: | S904-1232 |
| Compound Name: | 1-[3-{(2S,4S)-1-[3-(benzenesulfonyl)propanoyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C22 H29 N5 O5 S |
| Smiles: | CC(C)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1C(CCS(c1ccccc1)(=O)=O)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.2045 |
| logD: | -0.2045 |
| logSw: | -1.966 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.465 |
| InChI Key: | DTEHBDHZIASQEO-AEFFLSMTSA-N |