1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-methylphenyl)ethan-1-one
1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S517-0973 |
| Compound Name: | 1-{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-(3-methylphenyl)ethan-1-one |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C24 H28 N4 O |
| Smiles: | Cc1cccc(CC(N2CCC(CC2)Cc2nncn2Cc2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8959 |
| logD: | 3.8957 |
| logSw: | -4.0226 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.42 |
| InChI Key: | IQXYAXUZALGQBM-UHFFFAOYSA-N |