4-({[1-(4-bromo-2,3-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-hydroxybenzoic acid
Chemical Structure Depiction of
4-({[1-(4-bromo-2,3-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-hydroxybenzoic acid
4-({[1-(4-bromo-2,3-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-hydroxybenzoic acid
Compound characteristics
| Compound ID: | 5881-0414 |
| Compound Name: | 4-({[1-(4-bromo-2,3-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-hydroxybenzoic acid |
| Molecular Weight: | 444.28 |
| Molecular Formula: | C20 H18 Br N3 O4 |
| Smiles: | CC1/C(=C/Nc2ccc(C(O)=O)c(c2)O)C(N(c2ccc(c(C)c2C)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5445 |
| logD: | 1.5156 |
| logSw: | -4.0868 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.843 |
| InChI Key: | JEKWLXZPWDUEGU-UHFFFAOYSA-N |