2-(4-chlorophenoxy)-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-(4-chlorophenoxy)-1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
2-(4-chlorophenoxy)-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: | D331-0236 |
| Compound Name: | 2-(4-chlorophenoxy)-1-[5-({[4-(dimethylamino)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C23 H22 Cl N5 O3 |
| Smiles: | CN(C)c1ccc(CNc2nc(c3ccco3)nn2C(COc2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8526 |
| logD: | 3.8372 |
| logSw: | -4.3781 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.582 |
| InChI Key: | BGQXPICWGVDMGP-UHFFFAOYSA-N |