6-(2,5-dimethylbenzene-1-sulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane
Chemical Structure Depiction of
6-(2,5-dimethylbenzene-1-sulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane
6-(2,5-dimethylbenzene-1-sulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane
Compound characteristics
| Compound ID: | SD74-0076 |
| Compound Name: | 6-(2,5-dimethylbenzene-1-sulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane |
| Molecular Weight: | 360.48 |
| Molecular Formula: | C18 H24 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CC(c2nncn2C)C2(CCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0646 |
| logD: | 2.0646 |
| logSw: | -2.5614 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.346 |
| InChI Key: | QBHJOGCHJAAUPW-HNNXBMFYSA-N |