2-(4-bromo-2-{[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)-N-phenylacetamide
Chemical Structure Depiction of
2-(4-bromo-2-{[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)-N-phenylacetamide
2-(4-bromo-2-{[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)-N-phenylacetamide
Compound characteristics
| Compound ID: | Y508-5359 |
| Compound Name: | 2-(4-bromo-2-{[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)-N-phenylacetamide |
| Molecular Weight: | 504.38 |
| Molecular Formula: | C26 H22 Br N3 O3 |
| Smiles: | CC1/C(=C/c2cc(ccc2OCC(Nc2ccccc2)=O)[Br])C(N(c2cccc(C)c2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7505 |
| logD: | 5.7505 |
| logSw: | -5.456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.05 |
| InChI Key: | NHQMOIXBBPTERZ-UHFFFAOYSA-N |