2-(4-methylphenyl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-methylphenyl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethan-1-one
2-(4-methylphenyl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC66-0024 |
| Compound Name: | 2-(4-methylphenyl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]ethan-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | Cc1ccc(CC(N2CC(c3nncn3C)C3(CCOCC3)C2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4893 |
| logD: | 1.4893 |
| logSw: | -1.8458 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.333 |
| InChI Key: | DUAOMUUODMVPCR-KRWDZBQOSA-N |