1-(4-chlorophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
1-(4-chlorophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | D155-0041 |
| Compound Name: | 1-(4-chlorophenyl)-3-(2-hydroxy-5-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one |
| Molecular Weight: | 370.75 |
| Molecular Formula: | C17 H11 Cl N4 O4 |
| Smiles: | C(=C(/C(c1ccc(cc1)[Cl])=O)n1cncn1)\c1cc(ccc1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5455 |
| logD: | 0.2487 |
| logSw: | -3.8849 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.341 |
| InChI Key: | SRZVHGVTAAZRFJ-UHFFFAOYSA-N |