1-[5-{[(2-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[5-{[(2-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
1-[5-{[(2-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | D116-0157 |
| Compound Name: | 1-[5-{[(2-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 406.87 |
| Molecular Formula: | C22 H19 Cl N4 O2 |
| Smiles: | C(Cc1ccccc1)C(n1c(NCc2ccccc2[Cl])nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7346 |
| logD: | 4.7346 |
| logSw: | -4.8076 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.278 |
| InChI Key: | JCKJZQXNXMDNMC-UHFFFAOYSA-N |