[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-nitrophenyl)methanone
[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | D331-0201 |
| Compound Name: | [5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 449.42 |
| Molecular Formula: | C22 H19 N5 O6 |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)nn2C(c2cccc(c2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.9131 |
| logD: | 2.9131 |
| logSw: | -3.3896 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.448 |
| InChI Key: | WQPTWFCIAYSOIQ-UHFFFAOYSA-N |