1-[2-(2,5-dimethoxybenzene-1-sulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(2,5-dimethoxybenzene-1-sulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one
1-[2-(2,5-dimethoxybenzene-1-sulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB59-0377 |
| Compound Name: | 1-[2-(2,5-dimethoxybenzene-1-sulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]ethan-1-one |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C19 H25 N5 O5 S |
| Smiles: | CC(N1CC(c2nncn2C)C2(C1)CN(C2)S(c1cc(ccc1OC)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0844 |
| logD: | -0.0845 |
| logSw: | -2.241 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.583 |
| InChI Key: | WBTOADQNOVWKOA-OAHLLOKOSA-N |