5-(4-ethylbenzene-1-sulfonyl)-1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
Chemical Structure Depiction of
5-(4-ethylbenzene-1-sulfonyl)-1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
5-(4-ethylbenzene-1-sulfonyl)-1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
Compound characteristics
| Compound ID: | SA50-0949 |
| Compound Name: | 5-(4-ethylbenzene-1-sulfonyl)-1-methyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | CCc1ccc(cc1)S(N1Cc2c(c3nc(C4CCOCC4)no3)nn(C)c2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0058 |
| logD: | 3.0058 |
| logSw: | -3.0804 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.435 |
| InChI Key: | KKQSNWZECSXSDE-UHFFFAOYSA-N |