N-[(4-methylphenyl)methyl]-4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
N-[(4-methylphenyl)methyl]-4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S564-0499 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C23 H27 N5 O |
| Smiles: | Cc1ccc(CNC(N2CCC(CC2)Cc2nnc(c3ccccc3)[nH]2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7868 |
| logD: | 3.751 |
| logSw: | -3.8997 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.534 |
| InChI Key: | SITDJGVMJKYBHB-UHFFFAOYSA-N |