1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(3-methyl-1H-indazol-1-yl)butane-1,4-dione
Chemical Structure Depiction of
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(3-methyl-1H-indazol-1-yl)butane-1,4-dione
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(3-methyl-1H-indazol-1-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | T501-1361 |
| Compound Name: | 1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-4-(3-methyl-1H-indazol-1-yl)butane-1,4-dione |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H30 N6 O2 |
| Smiles: | Cc1c2ccccc2n(C(CCC(N2CCCC(Cc3nncn3Cc3ccccc3)C2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2276 |
| logD: | 2.2276 |
| logSw: | -2.493 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.215 |
| InChI Key: | NFFHVDGDYKYWID-JOCHJYFZSA-N |