ethyl 1-[4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate
ethyl 1-[4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate
Compound characteristics
| Compound ID: | 8013-3124 |
| Compound Name: | ethyl 1-[4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H25 N7 O3 |
| Smiles: | CCOC(c1c(c2ccccc2)nnn1c1nc(nc(n1)OCC)N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.583 |
| logD: | 4.583 |
| logSw: | -4.2274 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 84.69 |
| InChI Key: | TUSPHNIBXFMXQW-UHFFFAOYSA-N |