5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0863 |
| Compound Name: | 5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C18 H18 Br N5 O2 S |
| Smiles: | COc1ccc(cc1Cn1c(c(C(Nc2cccc(c2)SC)=O)nn1)N)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3242 |
| logD: | 3.3242 |
| logSw: | -3.6511 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.918 |
| InChI Key: | AMWKBBWBCIQBHM-UHFFFAOYSA-N |