5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2,5-diethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2,5-diethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2,5-diethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0842 |
| Compound Name: | 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2,5-diethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 490.36 |
| Molecular Formula: | C21 H24 Br N5 O4 |
| Smiles: | CCOc1ccc(c(c1)NC(c1c(N)n(Cc2ccc(c(c2)[Br])OC)nn1)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.2434 |
| logD: | 3.2423 |
| logSw: | -3.4302 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.554 |
| InChI Key: | WVSXONXHUNDNPF-UHFFFAOYSA-N |