4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[4-(propan-2-yl)benzene-1-sulfonyl]-8-oxa-2-azaspiro[4.5]decane
Chemical Structure Depiction of
4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[4-(propan-2-yl)benzene-1-sulfonyl]-8-oxa-2-azaspiro[4.5]decane
4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[4-(propan-2-yl)benzene-1-sulfonyl]-8-oxa-2-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC66-0648 |
| Compound Name: | 4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[4-(propan-2-yl)benzene-1-sulfonyl]-8-oxa-2-azaspiro[4.5]decane |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CCn1cnnc1C1CN(CC12CCOCC2)S(c1ccc(cc1)C(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6487 |
| logD: | 2.6487 |
| logSw: | -2.8743 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.092 |
| InChI Key: | AKKWINQGZJFQOT-IBGZPJMESA-N |