1-[5-amino-3-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
1-[5-amino-3-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D481-1939 |
| Compound Name: | 1-[5-amino-3-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 356.35 |
| Molecular Formula: | C18 H17 F N4 O3 |
| Smiles: | COc1ccc(CC(n2c(N)nc(c3ccc(cc3)F)n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2953 |
| logD: | 2.2927 |
| logSw: | -2.7111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.58 |
| InChI Key: | ACUWENGKAWGXKG-UHFFFAOYSA-N |