[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone
[5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | D331-0646 |
| Compound Name: | [5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 483.32 |
| Molecular Formula: | C22 H19 Br N4 O4 |
| Smiles: | COc1ccc(cc1OC)C(n1c(NCc2ccc(cc2)[Br])nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8104 |
| logD: | 3.8104 |
| logSw: | -4.0949 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.066 |
| InChI Key: | XFPROKJGQULZNO-UHFFFAOYSA-N |