1-[(2S,4S)-4-hydroxy-2-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-hydroxy-2-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
1-[(2S,4S)-4-hydroxy-2-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S904-0934 |
| Compound Name: | 1-[(2S,4S)-4-hydroxy-2-(7-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C16 H21 N5 O2 S |
| Smiles: | CN1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1C(Cc1cccs1)=O)O |
| Stereo: | ABSOLUTE |
| logP: | -0.383 |
| logD: | -0.3909 |
| logSw: | -1.7257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.196 |
| InChI Key: | DUJPYXVPERWYKJ-YPMHNXCESA-N |