3-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Chemical Structure Depiction of
3-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
3-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 8004-8613 |
| Compound Name: | 3-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C19 H17 N3 O3 |
| Smiles: | CC1\C(=C/Nc2cccc(c2)C(O)=O)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6985 |
| logD: | 0.8126 |
| logSw: | -3.8355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.596 |
| InChI Key: | COIGNWCPPHUXBG-UHFFFAOYSA-N |