5-amino-1-[(3-bromophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0813 |
| Compound Name: | 5-amino-1-[(3-bromophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 416.28 |
| Molecular Formula: | C18 H18 Br N5 O2 |
| Smiles: | COc1ccc(CNC(c2c(N)n(Cc3cccc(c3)[Br])nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3515 |
| logD: | 2.3515 |
| logSw: | -2.8627 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.154 |
| InChI Key: | CBYBJBFNDBNQOY-UHFFFAOYSA-N |