2-(3-methylphenoxy)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-methylphenoxy)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]ethan-1-one
2-(3-methylphenoxy)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | SC69-0100 |
| Compound Name: | 2-(3-methylphenoxy)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]ethan-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1CC(c2nncn2C)C2(CCCC2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7083 |
| logD: | 1.7081 |
| logSw: | -2.0953 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.29 |
| InChI Key: | IWRQVNMCJZFFLJ-KRWDZBQOSA-N |