1-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
1-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | D155-0050 |
| Compound Name: | 1-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one |
| Molecular Weight: | 404.25 |
| Molecular Formula: | C19 H15 Cl2 N3 O3 |
| Smiles: | COc1ccc(/C=C(/C(c2ccc(cc2[Cl])[Cl])=O)n2cncn2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9268 |
| logD: | 3.9268 |
| logSw: | -4.4923 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.672 |
| InChI Key: | WHDYPCAWESWZJP-UHFFFAOYSA-N |