4-({[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Chemical Structure Depiction of
4-({[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
4-({[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 8010-1358 |
| Compound Name: | 4-({[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid |
| Molecular Weight: | 355.78 |
| Molecular Formula: | C18 H14 Cl N3 O3 |
| Smiles: | CC1/C(=C/Nc2ccc(cc2)C(O)=O)C(N(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7147 |
| logD: | 1.3195 |
| logSw: | -4.2523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.596 |
| InChI Key: | VJVOMXQASOAITR-UHFFFAOYSA-N |