2-(3,4-dimethoxyphenyl)-1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
2-(3,4-dimethoxyphenyl)-1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D331-0240 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C25 H27 N5 O4 |
| Smiles: | CN(C)c1ccc(CNc2nc(c3ccco3)nn2C(Cc2ccc(c(c2)OC)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1851 |
| logD: | 3.1671 |
| logSw: | -3.372 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.344 |
| InChI Key: | KKXDPXMAAVBLFF-UHFFFAOYSA-N |