N-(2-bromo-4-methylphenyl)-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide
N-(2-bromo-4-methylphenyl)-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0961 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-5-(4-fluoroanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 390.21 |
| Molecular Formula: | C16 H13 Br F N5 O |
| Smiles: | Cc1ccc(c(c1)[Br])NC(c1c(Nc2ccc(cc2)F)[nH]nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7123 |
| logD: | 3.6464 |
| logSw: | -3.9178 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.857 |
| InChI Key: | HYCVGSXNCRUGRH-UHFFFAOYSA-N |