N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(pyrimidin-2-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(pyrimidin-2-yl)piperidine-3-carboxamide
N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(pyrimidin-2-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | Y043-4839 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1-(pyrimidin-2-yl)piperidine-3-carboxamide |
| Molecular Weight: | 393.45 |
| Molecular Formula: | C20 H23 N7 O2 |
| Smiles: | COc1ccc(Cc2nc(NC(C3CCCN(C3)c3ncccn3)=O)n[nH]2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6971 |
| logD: | 2.6748 |
| logSw: | -2.972 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.531 |
| InChI Key: | TXGLSVNNKBIXFI-HNNXBMFYSA-N |