[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone
[5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | D481-2134 |
| Compound Name: | [5-amino-3-(2-chlorophenyl)-1H-1,2,4-triazol-1-yl](3,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C17 H15 Cl N4 O3 |
| Smiles: | COc1ccc(cc1OC)C(n1c(N)nc(c2ccccc2[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3793 |
| logD: | 2.3793 |
| logSw: | -3.4036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.108 |
| InChI Key: | VCEKAFZTEZOWBZ-UHFFFAOYSA-N |