5-amino-N-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | C549-0648 |
Compound Name: | 5-amino-N-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 402.25 |
Molecular Formula: | C17 H16 Br N5 O2 |
Smiles: | COc1ccc(Cn2c(c(C(Nc3ccc(cc3)[Br])=O)nn2)N)cc1 |
Stereo: | ACHIRAL |
logP: | 2.8832 |
logD: | 2.8829 |
logSw: | -3.4852 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 76.831 |
InChI Key: | YMLOSCCMTNTYOC-UHFFFAOYSA-N |