1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]-2-(3-methoxyphenyl)ethan-1-one
1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SC68-1185 |
| Compound Name: | 1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C27 H32 N4 O2 |
| Smiles: | COc1cccc(CC(N2CC(c3nncn3Cc3ccccc3)C3(CCCCC3)C2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8555 |
| logD: | 3.8555 |
| logSw: | -4.0544 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.141 |
| InChI Key: | AOESBULDYQOPHA-DEOSSOPVSA-N |