1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
Chemical Structure Depiction of
1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
Compound characteristics
| Compound ID: | D331-0231 |
| Compound Name: | 1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C19 H23 N5 O2 |
| Smiles: | CCCC(n1c(NCc2ccc(cc2)N(C)C)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1661 |
| logD: | 3.1507 |
| logSw: | -3.2634 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.354 |
| InChI Key: | ZCUCGMPWVDWMSU-UHFFFAOYSA-N |