2-({[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Chemical Structure Depiction of
2-({[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
2-({[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Compound characteristics
| Compound ID: | Y508-2384 |
| Compound Name: | 2-({[1-(4-fluorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid |
| Molecular Weight: | 339.32 |
| Molecular Formula: | C18 H14 F N3 O3 |
| Smiles: | CC1/C(=C/Nc2ccccc2C(O)=O)C(N(c2ccc(cc2)F)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3936 |
| logD: | -0.133 |
| logSw: | -3.7124 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.898 |
| InChI Key: | FKRRHOOTCPNQDI-UHFFFAOYSA-N |