4-[4-({4-[2-(4-carboxyanilino)-2-oxoethoxy]-3-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[4-({4-[2-(4-carboxyanilino)-2-oxoethoxy]-3-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4-[4-({4-[2-(4-carboxyanilino)-2-oxoethoxy]-3-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | Y508-5354 |
| Compound Name: | 4-[4-({4-[2-(4-carboxyanilino)-2-oxoethoxy]-3-methoxyphenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 529.51 |
| Molecular Formula: | C28 H23 N3 O8 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)OC)OCC(Nc2ccc(cc2)C(O)=O)=O)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8743 |
| logD: | 1.4791 |
| logSw: | -4.1517 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.497 |
| InChI Key: | SGXAEDAUXBPTCC-UHFFFAOYSA-N |