2-(4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-(4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)-N-(4-methylphenyl)acetamide
2-(4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | Y509-0377 |
| Compound Name: | 2-(4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 548.44 |
| Molecular Formula: | C28 H26 Br N3 O4 |
| Smiles: | CCOc1cc(/C=C2/C(C)=NN(C2=O)c2cccc(c2)[Br])ccc1OCC(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5453 |
| logD: | 5.5453 |
| logSw: | -5.4366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.261 |
| InChI Key: | KQBPOPSNRWGHNZ-UHFFFAOYSA-N |