N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L741-0906 |
| Compound Name: | N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 452.28 |
| Molecular Formula: | C21 H15 Br F N5 O |
| Smiles: | C(c1cccc(c1)[Br])NC(c1c(c2ccncc2)n(c2ccc(cc2)F)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4444 |
| logD: | 3.4444 |
| logSw: | -3.569 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.681 |
| InChI Key: | SECRQBCMFWLNID-UHFFFAOYSA-N |