2-(2,5-dimethoxybenzene-1-sulfonyl)-4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
Chemical Structure Depiction of
2-(2,5-dimethoxybenzene-1-sulfonyl)-4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
2-(2,5-dimethoxybenzene-1-sulfonyl)-4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC68-0109 |
| Compound Name: | 2-(2,5-dimethoxybenzene-1-sulfonyl)-4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C21 H30 N4 O4 S |
| Smiles: | CCn1cnnc1C1CN(CC12CCCCC2)S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2822 |
| logD: | 2.2822 |
| logSw: | -2.6924 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.358 |
| InChI Key: | LXQTXJPLMXOUPE-KRWDZBQOSA-N |