5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3,4-difluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3,4-difluorophenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3,4-difluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0839 |
| Compound Name: | 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(3,4-difluorophenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 438.23 |
| Molecular Formula: | C17 H14 Br F2 N5 O2 |
| Smiles: | COc1ccc(Cn2c(c(C(Nc3ccc(c(c3)F)F)=O)nn2)N)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9094 |
| logD: | 2.8893 |
| logSw: | -3.3404 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.918 |
| InChI Key: | VYLYYCZSXPGDEQ-UHFFFAOYSA-N |