1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-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]-3-phenylpropan-1-one
1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | D331-0469 |
| Compound Name: | 1-[3-(furan-2-yl)-5-({[4-(propan-2-yl)phenyl]methyl}amino)-1H-1,2,4-triazol-1-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C25 H26 N4 O2 |
| Smiles: | CC(C)c1ccc(CNc2nc(c3ccco3)nn2C(CCc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2908 |
| logD: | 5.2908 |
| logSw: | -5.3691 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.278 |
| InChI Key: | FXHPEGMLRFWMNC-UHFFFAOYSA-N |