1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D481-1986 |
| Compound Name: | 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 372.81 |
| Molecular Formula: | C18 H17 Cl N4 O3 |
| Smiles: | COc1ccc(CC(n2c(N)nc(c3ccc(cc3)[Cl])n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.861 |
| logD: | 2.8583 |
| logSw: | -3.4713 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.58 |
| InChI Key: | GMDIZRBYMTXJEE-UHFFFAOYSA-N |