1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D331-0353 |
| Compound Name: | 1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 467.32 |
| Molecular Formula: | C22 H19 Br N4 O3 |
| Smiles: | COc1ccc(CC(n2c(NCc3cccc(c3)[Br])nc(c3ccco3)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2118 |
| logD: | 4.2092 |
| logSw: | -4.4894 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.822 |
| InChI Key: | UNBJZNDAJLHFOL-UHFFFAOYSA-N |