1-{2-[(3,5-dimethoxyphenyl)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-dimethoxyphenyl)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-dimethoxyphenyl)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: | SB59-0592 |
| Compound Name: | 1-{2-[(3,5-dimethoxyphenyl)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: | 443.5 |
| Molecular Formula: | C22 H29 N5 O5 |
| Smiles: | Cn1cnnc1C1CN(CC12CN(C2)C(Cc1cc(cc(c1)OC)OC)=O)C(COC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2857 |
| logD: | -0.2857 |
| logSw: | -0.6867 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.335 |
| InChI Key: | JWPBTIYYMHSHCP-SFHVURJKSA-N |