1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D481-1845 |
| Compound Name: | 1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C19 H20 N4 O3 |
| Smiles: | Cc1ccccc1c1nc(N)n(C(Cc2ccc(c(c2)OC)OC)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3496 |
| logD: | 2.347 |
| logSw: | -2.8213 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.58 |
| InChI Key: | QDEHDBWKCNUICU-UHFFFAOYSA-N |