2-(4-chlorophenoxy)-1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
2-(4-chlorophenoxy)-1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D331-0179 |
| Compound Name: | 2-(4-chlorophenoxy)-1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 468.9 |
| Molecular Formula: | C23 H21 Cl N4 O5 |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)nn2C(COc2ccc(cc2)[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3775 |
| logD: | 3.3775 |
| logSw: | -3.8281 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.038 |
| InChI Key: | PBMYSIJWMJWPRP-UHFFFAOYSA-N |