1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D331-0239 |
| Compound Name: | 1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C24 H25 N5 O3 |
| Smiles: | CN(C)c1ccc(CNc2nc(c3ccco3)nn2C(Cc2ccc(cc2)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.549 |
| logD: | 3.5309 |
| logSw: | -3.7094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.627 |
| InChI Key: | HKHOCVRYALCTDP-UHFFFAOYSA-N |