1-[6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
1-[6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | SB59-0594 |
| Compound Name: | 1-[6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octan-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 433.56 |
| Molecular Formula: | C24 H31 N7 O |
| Smiles: | Cc1cc(C)n(CCC(N2CC3(CN(CC3c3nncn3C)Cc3ccccc3)C2)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3201 |
| logD: | -3.088 |
| logSw: | -1.5796 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.148 |
| InChI Key: | IKWQGBAVOLHCGG-OAQYLSRUSA-N |