[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-methylphenyl)methanone
Chemical Structure Depiction of
[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-methylphenyl)methanone
[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-methylphenyl)methanone
Compound characteristics
| Compound ID: | D331-0357 |
| Compound Name: | [5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-methylphenyl)methanone |
| Molecular Weight: | 437.29 |
| Molecular Formula: | C21 H17 Br N4 O2 |
| Smiles: | Cc1ccc(cc1)C(n1c(NCc2cccc(c2)[Br])nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6126 |
| logD: | 4.6126 |
| logSw: | -4.3906 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.806 |
| InChI Key: | AXWPTBAVGSNHMD-UHFFFAOYSA-N |