N-(2-phenylethyl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
Chemical Structure Depiction of
N-(2-phenylethyl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
N-(2-phenylethyl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S564-0841 |
| Compound Name: | N-(2-phenylethyl)-4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carboxamide |
| Molecular Weight: | 390.49 |
| Molecular Formula: | C22 H26 N6 O |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccncc2)[nH]1)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6359 |
| logD: | 2.6126 |
| logSw: | -2.7305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.803 |
| InChI Key: | ODNSMTHAQFSODA-UHFFFAOYSA-N |