1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | D331-0349 |
| Compound Name: | 1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 453.29 |
| Molecular Formula: | C21 H17 Br N4 O3 |
| Smiles: | C(c1cccc(c1)[Br])Nc1nc(c2ccco2)nn1C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8922 |
| logD: | 3.8922 |
| logSw: | -4.098 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.777 |
| InChI Key: | DWTQLJKEQLKKDX-UHFFFAOYSA-N |