2-(4-ethoxybenzene-1-sulfonyl)-4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane
Chemical Structure Depiction of
2-(4-ethoxybenzene-1-sulfonyl)-4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane
2-(4-ethoxybenzene-1-sulfonyl)-4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC66-0313 |
| Compound Name: | 2-(4-ethoxybenzene-1-sulfonyl)-4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C22 H32 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)S(N1CC(c2nncn2CC(C)C)C2(CCOCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6447 |
| logD: | 2.6447 |
| logSw: | -2.8792 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.491 |
| InChI Key: | QUSWPGCZIOBHDL-FQEVSTJZSA-N |