4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-(4-ethoxybenzene-1-sulfonyl)-8-oxa-2-azaspiro[4.5]decane
Chemical Structure Depiction of
4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-(4-ethoxybenzene-1-sulfonyl)-8-oxa-2-azaspiro[4.5]decane
4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-(4-ethoxybenzene-1-sulfonyl)-8-oxa-2-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC66-0830 |
| Compound Name: | 4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-(4-ethoxybenzene-1-sulfonyl)-8-oxa-2-azaspiro[4.5]decane |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C22 H30 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)S(N1CC(c2nncn2CC2CC2)C2(CCOCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2884 |
| logD: | 2.2884 |
| logSw: | -2.6001 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.743 |
| InChI Key: | SGFYPUXHOFHFOQ-FQEVSTJZSA-N |