1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | D155-0006 |
| Compound Name: | 1-(2,4-dichlorophenyl)-3-(pyridin-3-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one |
| Molecular Weight: | 345.19 |
| Molecular Formula: | C16 H10 Cl2 N4 O |
| Smiles: | C(=C(/C(c1ccc(cc1[Cl])[Cl])=O)n1cncn1)\c1cccnc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1681 |
| logD: | 3.1681 |
| logSw: | -3.8937 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.929 |
| InChI Key: | DTSQKGNWBXCQRK-UHFFFAOYSA-N |