N-(4-bromophenyl)-5-(4-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
Compound characteristics
| Compound ID: | D351-2641 |
| Compound Name: | N-(4-bromophenyl)-5-(4-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide |
| Molecular Weight: | 449.31 |
| Molecular Formula: | C22 H17 Br N4 O2 |
| Smiles: | COc1ccc(cc1)c1nc(C(Nc2ccc(cc2)[Br])=O)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5377 |
| logD: | 5.5376 |
| logSw: | -5.62 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.524 |
| InChI Key: | KHNMSPNDQAZMQJ-UHFFFAOYSA-N |