3-(1,3-benzothiazol-2-yl)-1-{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}propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-{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}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{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}propan-1-one
Compound characteristics
| Compound ID: | S904-0101 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{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}propan-1-one |
| Molecular Weight: | 440.57 |
| Molecular Formula: | C22 H28 N6 O2 S |
| Smiles: | CC(C)N1C[C@H](C[C@H]1c1nnc2CN(CCn12)C(CCc1nc2ccccc2s1)=O)O |
| Stereo: | ABSOLUTE |
| logP: | 1.6813 |
| logD: | 1.5447 |
| logSw: | -2.1025 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.781 |
| InChI Key: | FJVOEOQGEYDDPY-WBVHZDCISA-N |