1-(3-methyl-1H-indazol-1-yl)-4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butane-1,4-dione
Chemical Structure Depiction of
1-(3-methyl-1H-indazol-1-yl)-4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butane-1,4-dione
1-(3-methyl-1H-indazol-1-yl)-4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butane-1,4-dione
Compound characteristics
| Compound ID: | S517-1118 |
| Compound Name: | 1-(3-methyl-1H-indazol-1-yl)-4-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butane-1,4-dione |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C26 H28 N6 O2 |
| Smiles: | Cc1c2ccccc2n(C(CCC(N2CCC(CC2)Cc2nncn2c2ccccc2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2433 |
| logD: | 2.2431 |
| logSw: | -2.4103 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.74 |
| InChI Key: | XYPVQKFULRVTAK-UHFFFAOYSA-N |