1-[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one
Chemical Structure Depiction of
1-[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one
1-[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one
Compound characteristics
| Compound ID: | D116-0138 |
| Compound Name: | 1-[5-{[(4-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C22 H19 Cl N4 O3 |
| Smiles: | CC(C(n1c(NCc2ccc(cc2)[Cl])nc(c2ccco2)n1)=O)Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2135 |
| logD: | 4.2135 |
| logSw: | -4.4925 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.594 |
| InChI Key: | OHSONFWJNGBTSX-HNNXBMFYSA-N |