3-(3-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-oxopropyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-(3-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-oxopropyl)-1,3-benzoxazol-2(3H)-one
3-(3-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-oxopropyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S625-6140 |
| Compound Name: | 3-(3-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-3-oxopropyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 412.45 |
| Molecular Formula: | C20 H24 N6 O4 |
| Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(CCN1C(=O)Oc2ccccc12)=O)O |
| Stereo: | ABSOLUTE |
| logP: | -0.6744 |
| logD: | -0.7208 |
| logSw: | -1.5899 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.473 |
| InChI Key: | FKNILUKMNBHAFH-ZFWWWQNUSA-N |