5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0831 |
| Compound Name: | 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-methoxy-5-methylphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 446.3 |
| Molecular Formula: | C19 H20 Br N5 O3 |
| Smiles: | Cc1ccc(c(c1)NC(c1c(N)n(Cc2ccc(c(c2)[Br])OC)nn1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5879 |
| logD: | 2.5879 |
| logSw: | -2.957 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.851 |
| InChI Key: | DDHXSWPFIKZVBC-UHFFFAOYSA-N |