3-({[1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Chemical Structure Depiction of
3-({[1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
3-({[1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 5881-1358 |
| Compound Name: | 3-({[1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid |
| Molecular Weight: | 414.26 |
| Molecular Formula: | C19 H16 Br N3 O3 |
| Smiles: | CC1/C(=C/Nc2cccc(c2)C(O)=O)C(N(c2ccc(c(C)c2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5995 |
| logD: | 1.7137 |
| logSw: | -4.335 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.596 |
| InChI Key: | LHGRZBKZOWNUME-UHFFFAOYSA-N |