(3S,5S)-1-(propan-2-yl)-5-{7-[(thiophen-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Chemical Structure Depiction of
(3S,5S)-1-(propan-2-yl)-5-{7-[(thiophen-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
(3S,5S)-1-(propan-2-yl)-5-{7-[(thiophen-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol
Compound characteristics
| Compound ID: | S904-0046 |
| Compound Name: | (3S,5S)-1-(propan-2-yl)-5-{7-[(thiophen-3-yl)methyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyrrolidin-3-ol |
| Molecular Weight: | 347.48 |
| Molecular Formula: | C17 H25 N5 O S |
| Smiles: | CC(C)N1C[C@H](C[C@H]1c1nnc2CN(CCn12)Cc1ccsc1)O |
| Stereo: | ABSOLUTE |
| logP: | 0.9316 |
| logD: | 0.7653 |
| logSw: | -1.4171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.195 |
| InChI Key: | KRADLOUWBPCKRI-CABCVRRESA-N |