1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]hexan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]hexan-1-one
1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]hexan-1-one
Compound characteristics
| Compound ID: | D331-0461 |
| Compound Name: | 1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]hexan-1-one |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C22 H28 N4 O2 |
| Smiles: | CCCCCC(n1c(NCc2ccc(cc2)C(C)C)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2704 |
| logD: | 5.2704 |
| logSw: | -5.0058 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.55 |
| InChI Key: | DIMATRJWGBUFSD-UHFFFAOYSA-N |