1-[2-(2,4-dimethylbenzoyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[2-(2,4-dimethylbenzoyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]-2-methylpropan-1-one
1-[2-(2,4-dimethylbenzoyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SB59-0423 |
| Compound Name: | 1-[2-(2,4-dimethylbenzoyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-6-yl]-2-methylpropan-1-one |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CC(C)C(N1CC(c2nncn2C)C2(C1)CN(C2)C(c1ccc(C)cc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7966 |
| logD: | 1.7966 |
| logSw: | -2.6504 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.878 |
| InChI Key: | NECOAYRRFURTSV-GOSISDBHSA-N |