N-[(4-methoxyphenyl)methyl]-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
N-[(4-methoxyphenyl)methyl]-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S564-0845 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide |
| Molecular Weight: | 406.49 |
| Molecular Formula: | C22 H26 N6 O2 |
| Smiles: | COc1ccc(CNC(N2CCC(CC2)Cc2nnc(c3ccncc3)[nH]2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2018 |
| logD: | 2.1784 |
| logSw: | -2.1842 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.506 |
| InChI Key: | BUHUTGMJKIRRFW-UHFFFAOYSA-N |