1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}-2-(thiophen-2-yl)ethan-1-one
1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | SA50-0888 |
| Compound Name: | 1-{1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C19 H21 N5 O3 S |
| Smiles: | Cn1c2CN(Cc2c(c2nc(C3CCOCC3)no2)n1)C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6954 |
| logD: | 1.6954 |
| logSw: | -2.2652 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.863 |
| InChI Key: | DOTBRLWZGNLSPC-UHFFFAOYSA-N |