N-(4-bromo-3-methylphenyl)-5-(4-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-5-(4-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
N-(4-bromo-3-methylphenyl)-5-(4-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-1099 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-5-(4-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 402.25 |
| Molecular Formula: | C17 H16 Br N5 O2 |
| Smiles: | Cc1cc(ccc1[Br])NC(c1c(Nc2ccc(cc2)OC)[nH]nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8605 |
| logD: | 3.7947 |
| logSw: | -4.1871 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.099 |
| InChI Key: | QTHYRRPIUGGSDS-UHFFFAOYSA-N |