4-[(4-hydroxy-3-iodo-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-hydroxy-3-iodo-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-[(4-hydroxy-3-iodo-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | C159-0015 |
| Compound Name: | 4-[(4-hydroxy-3-iodo-5-methoxyphenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 610.4 |
| Molecular Formula: | C28 H23 I N2 O6 |
| Smiles: | CC1=C(C(C2=C(c3ccccc3OC2=O)O)c2cc(c(c(c2)I)O)OC)C(N(c2ccccc2)N1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6201 |
| logD: | 0.7644 |
| logSw: | -3.8114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.98 |
| InChI Key: | NVQXZIMNXQIBMS-HSZRJFAPSA-N |