{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}(thiophen-2-yl)methanone
Chemical Structure Depiction of
{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}(thiophen-2-yl)methanone
{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}(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S904-0034 |
| Compound Name: | {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}(thiophen-2-yl)methanone |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C17 H23 N5 O2 S |
| Smiles: | CC(C)N1C[C@H](C[C@H]1c1nnc2CN(CCn12)C(c1cccs1)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 0.835 |
| logD: | 0.6984 |
| logSw: | -1.8894 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.111 |
| InChI Key: | AGRSCHOJGOEQQX-OLZOCXBDSA-N |