3-bromo-N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0297 |
| Compound Name: | 3-bromo-N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 444.33 |
| Molecular Formula: | C20 H22 Br N5 O2 |
| Smiles: | CC(C)c1ccc(C)cc1OCCNC(c1c(ccc(n1)n1cnnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5001 |
| logD: | 4.5001 |
| logSw: | -4.2169 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.879 |
| InChI Key: | BWNJMMJLGNLSFR-UHFFFAOYSA-N |