4-[4-({3-iodo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[4-({3-iodo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4-[4-({3-iodo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | Y508-5245 |
| Compound Name: | 4-[4-({3-iodo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 641.42 |
| Molecular Formula: | C28 H24 I N3 O7 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)I)OCC(Nc2ccccc2OC)=O)OC)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.97 |
| logD: | 2.5748 |
| logSw: | -4.4925 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.108 |
| InChI Key: | WEXZRCBOHPDKKP-UHFFFAOYSA-N |