{4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-2-methoxyphenoxy}acetic acid
Chemical Structure Depiction of
{4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-2-methoxyphenoxy}acetic acid
{4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-2-methoxyphenoxy}acetic acid
Compound characteristics
| Compound ID: | C159-0028 |
| Compound Name: | {4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-2-methoxyphenoxy}acetic acid |
| Molecular Weight: | 542.55 |
| Molecular Formula: | C30 H26 N2 O8 |
| Smiles: | CC1=C(C(C2=C(c3ccccc3OC2=O)O)c2ccc(c(c2)OC)OCC(O)=O)C(N(c2ccccc2)N1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2088 |
| logD: | -2.0282 |
| logSw: | -3.1938 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.47 |
| InChI Key: | OJVARSAJUUDCES-AREMUKBSSA-N |