5-(2-ethylbenzene-1-sulfonyl)-1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
Chemical Structure Depiction of
5-(2-ethylbenzene-1-sulfonyl)-1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
5-(2-ethylbenzene-1-sulfonyl)-1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
Compound characteristics
Compound ID: | SA50-0091 |
Compound Name: | 5-(2-ethylbenzene-1-sulfonyl)-1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole |
Molecular Weight: | 373.43 |
Molecular Formula: | C17 H19 N5 O3 S |
Smiles: | CCc1ccccc1S(N1Cc2c(c3nc(C)no3)nn(C)c2C1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.7955 |
logD: | 1.7955 |
logSw: | -2.3506 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 78.219 |
InChI Key: | CKWGMWOUIQFNOC-UHFFFAOYSA-N |