1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]hexan-1-one
Chemical Structure Depiction of
1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]hexan-1-one
1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]hexan-1-one
Compound characteristics
| Compound ID: | D331-0347 |
| Compound Name: | 1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]hexan-1-one |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C19 H21 Br N4 O2 |
| Smiles: | CCCCCC(n1c(NCc2cccc(c2)[Br])nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6851 |
| logD: | 4.6851 |
| logSw: | -4.4441 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.55 |
| InChI Key: | IKMPNHNSCMMXSD-UHFFFAOYSA-N |