1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(3,4-dimethoxyphenyl)ethan-1-one
1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D481-1751 |
| Compound Name: | 1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C18 H18 N4 O3 |
| Smiles: | COc1ccc(CC(n2c(N)nc(c3ccccc3)n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1612 |
| logD: | 2.1585 |
| logSw: | -2.6292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.58 |
| InChI Key: | FXRGTYDLPIOHOU-UHFFFAOYSA-N |