{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylphenyl)methanone
Chemical Structure Depiction of
{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylphenyl)methanone
{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylphenyl)methanone
Compound characteristics
| Compound ID: | S517-0881 |
| Compound Name: | {4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(3-methylphenyl)methanone |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C23 H26 N4 O |
| Smiles: | Cc1cccc(c1)C(N1CCC(CC1)Cc1nncn1Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2114 |
| logD: | 3.2113 |
| logSw: | -3.2996 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.948 |
| InChI Key: | QXARDUHOJHQGLU-UHFFFAOYSA-N |