N-(2-bromo-4-methylphenyl)-5-(3-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-5-(3-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
N-(2-bromo-4-methylphenyl)-5-(3-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | F414-1149 |
Compound Name: | N-(2-bromo-4-methylphenyl)-5-(3-methoxyanilino)-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 402.25 |
Molecular Formula: | C17 H16 Br N5 O2 |
Smiles: | Cc1ccc(c(c1)[Br])NC(c1c(Nc2cccc(c2)OC)[nH]nn1)=O |
Stereo: | ACHIRAL |
logP: | 3.7497 |
logD: | 3.6838 |
logSw: | -3.9972 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 76.401 |
InChI Key: | XAZAEDLBZKGPPS-UHFFFAOYSA-N |