1-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
1-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 8006-7489 |
| Compound Name: | 1-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one |
| Molecular Weight: | 389.2 |
| Molecular Formula: | C17 H10 Cl2 N4 O3 |
| Smiles: | C(=C(/C(c1ccc(cc1[Cl])[Cl])=O)n1cncn1)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1366 |
| logD: | 4.1365 |
| logSw: | -4.6109 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.793 |
| InChI Key: | ZBNXEWZFINRQKZ-UHFFFAOYSA-N |