4-(4-methyl-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-methyl-4H-1,2,4-triazol-3-yl)-2-[4-(propan-2-yl)benzene-1-sulfonyl]-8-oxa-2-azaspiro[4.5]decane
4-(4-methyl-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: | SC66-0127 |
| Compound Name: | 4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-[4-(propan-2-yl)benzene-1-sulfonyl]-8-oxa-2-azaspiro[4.5]decane |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1CC(c2nncn2C)C2(CCOCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.335 |
| logD: | 2.335 |
| logSw: | -2.7402 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.923 |
| InChI Key: | XEXJQSNUWJCKCR-SFHVURJKSA-N |