N-(4-bromo-3-methylphenyl)-5-(3,4-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-5-(3,4-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide
N-(4-bromo-3-methylphenyl)-5-(3,4-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-1125 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-5-(3,4-dimethylanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 400.28 |
| Molecular Formula: | C18 H18 Br N5 O |
| Smiles: | Cc1ccc(cc1C)Nc1c(C(Nc2ccc(c(C)c2)[Br])=O)nn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.8656 |
| logD: | 4.8019 |
| logSw: | -4.5833 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.555 |
| InChI Key: | OPSHBBGXYCOKCM-UHFFFAOYSA-N |