1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D481-2221 |
| Compound Name: | 1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C20 H22 N4 O3 |
| Smiles: | Cc1ccc(cc1C)c1nc(N)n(C(Cc2ccc(c(c2)OC)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2504 |
| logD: | 3.2477 |
| logSw: | -3.1815 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.58 |
| InChI Key: | KZFJXXBGMAIYQE-UHFFFAOYSA-N |