1-(2,4-dichlorophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(2,4-dichlorophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
1-(2,4-dichlorophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 8009-3304 |
| Compound Name: | 1-(2,4-dichlorophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one |
| Molecular Weight: | 405.19 |
| Molecular Formula: | C17 H10 Cl2 N4 O4 |
| Smiles: | C(=C(/C(c1ccc(cc1[Cl])[Cl])=O)n1cncn1)\c1cc(ccc1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0995 |
| logD: | 0.8026 |
| logSw: | -4.4234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.341 |
| InChI Key: | DSEDOQXBZSDRSJ-UHFFFAOYSA-N |