1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | D331-0355 |
| Compound Name: | 1-[5-{[(3-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 451.32 |
| Molecular Formula: | C22 H19 Br N4 O2 |
| Smiles: | C(Cc1ccccc1)C(n1c(NCc2cccc(c2)[Br])nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7055 |
| logD: | 4.7055 |
| logSw: | -4.7935 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.278 |
| InChI Key: | XNMRKSVMQGWEPF-UHFFFAOYSA-N |