1-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methoxyethan-1-one
Chemical Structure Depiction of
1-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methoxyethan-1-one
1-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | SB59-0561 |
| Compound Name: | 1-{2-[(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C19 H26 N6 O4 |
| Smiles: | Cc1c(CC(N2CC3(CN(CC3c3nncn3C)C(COC)=O)C2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.2435 |
| logD: | -1.2467 |
| logSw: | -0.0756 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.285 |
| InChI Key: | QRRYIVPXADSVRP-HNNXBMFYSA-N |