2-(azepan-1-yl)-1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}ethan-1-one
2-(azepan-1-yl)-1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | SA50-0964 |
| Compound Name: | 2-(azepan-1-yl)-1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}ethan-1-one |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C21 H30 N6 O3 |
| Smiles: | Cn1c2CN(Cc2c(c2nc(C3CCOCC3)no2)n1)C(CN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4508 |
| logD: | 1.3726 |
| logSw: | -1.3889 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.18 |
| InChI Key: | GXJBDKNJPQACDB-UHFFFAOYSA-N |