1-{2-[(3,4-difluorophenyl)methyl]-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-[(3,4-difluorophenyl)methyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methoxyethan-1-one
1-{2-[(3,4-difluorophenyl)methyl]-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: | SB59-0533 |
| Compound Name: | 1-{2-[(3,4-difluorophenyl)methyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl}-2-methoxyethan-1-one |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C19 H23 F2 N5 O2 |
| Smiles: | Cn1cnnc1C1CN(CC12CN(Cc1ccc(c(c1)F)F)C2)C(COC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1156 |
| logD: | -3.2608 |
| logSw: | -1.7195 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.859 |
| InChI Key: | NJSKZSHMGBPKHX-CQSZACIVSA-N |