2-(4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-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-methoxyphenoxy)-N-(4-methylphenyl)acetamide
2-(4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | Y508-5248 |
| Compound Name: | 2-(4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 534.41 |
| Molecular Formula: | C27 H24 Br N3 O4 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)OC)OCC(Nc2ccc(C)cc2)=O)C(N(c2cccc(c2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3996 |
| logD: | 5.3996 |
| logSw: | -5.4534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.681 |
| InChI Key: | LSKWZANSDMWUNO-UHFFFAOYSA-N |