5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0822 |
| Compound Name: | 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 416.28 |
| Molecular Formula: | C18 H18 Br N5 O2 |
| Smiles: | Cc1cccc(c1)NC(c1c(N)n(Cc2ccc(c(c2)[Br])OC)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9128 |
| logD: | 2.9128 |
| logSw: | -3.166 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.918 |
| InChI Key: | CCUJBKNCIISWHK-UHFFFAOYSA-N |