[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-nitrophenyl)methanone
Chemical Structure Depiction of
[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-nitrophenyl)methanone
[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | D331-0254 |
| Compound Name: | [5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl](4-nitrophenyl)methanone |
| Molecular Weight: | 432.44 |
| Molecular Formula: | C22 H20 N6 O4 |
| Smiles: | CN(C)c1ccc(CNc2nc(c3ccco3)nn2C(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4521 |
| logD: | 3.4366 |
| logSw: | -3.7589 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.992 |
| InChI Key: | ROQJROVYFCJUER-UHFFFAOYSA-N |