5-amino-N-benzyl-1-[(3-bromo-4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-benzyl-1-[(3-bromo-4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-benzyl-1-[(3-bromo-4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0846 |
| Compound Name: | 5-amino-N-benzyl-1-[(3-bromo-4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 416.28 |
| Molecular Formula: | C18 H18 Br N5 O2 |
| Smiles: | COc1ccc(Cn2c(c(C(NCc3ccccc3)=O)nn2)N)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1441 |
| logD: | 2.1441 |
| logSw: | -2.8068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.24 |
| InChI Key: | DCMCFTVYYDZABY-UHFFFAOYSA-N |