5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0848 |
| Compound Name: | 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 446.3 |
| Molecular Formula: | C19 H20 Br N5 O3 |
| Smiles: | COc1ccc(CNC(c2c(N)n(Cc3ccc(c(c3)[Br])OC)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1265 |
| logD: | 2.1265 |
| logSw: | -2.904 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.784 |
| InChI Key: | ZCMAVIMEQYEPJS-UHFFFAOYSA-N |