5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0869 |
| Compound Name: | 5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 420.24 |
| Molecular Formula: | C17 H15 Br F N5 O2 |
| Smiles: | COc1ccc(cc1Cn1c(c(C(Nc2ccc(cc2)F)=O)nn1)N)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.8923 |
| logD: | 2.8921 |
| logSw: | -3.4731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.918 |
| InChI Key: | DKGMDKSRUHXDFM-UHFFFAOYSA-N |