4-[2-(2-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetamido]benzoic acid
Chemical Structure Depiction of
4-[2-(2-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetamido]benzoic acid
4-[2-(2-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetamido]benzoic acid
Compound characteristics
| Compound ID: | Y509-0871 |
| Compound Name: | 4-[2-(2-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetamido]benzoic acid |
| Molecular Weight: | 499.52 |
| Molecular Formula: | C28 H25 N3 O6 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)OC)OCC(Nc2ccc(cc2)C(O)=O)=O)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4494 |
| logD: | 2.0542 |
| logSw: | -4.3315 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.089 |
| InChI Key: | QWNLFPWJVCLBOT-UHFFFAOYSA-N |