N-{5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl}-1-(pyrimidin-2-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-{5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl}-1-(pyrimidin-2-yl)piperidine-3-carboxamide
N-{5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl}-1-(pyrimidin-2-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | Y043-4840 |
| Compound Name: | N-{5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl}-1-(pyrimidin-2-yl)piperidine-3-carboxamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H25 N7 O2 |
| Smiles: | COc1ccc(CCc2nc(NC(C3CCCN(C3)c3ncccn3)=O)n[nH]2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1199 |
| logD: | 3.0331 |
| logSw: | -3.3303 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.531 |
| InChI Key: | JINRPQNTAZOFKC-INIZCTEOSA-N |