4-{[4-(benzyloxy)-3-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-(benzyloxy)-3-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-(benzyloxy)-3-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: | C159-0036 |
| Compound Name: | 4-{[4-(benzyloxy)-3-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: | 574.63 |
| Molecular Formula: | C35 H30 N2 O6 |
| Smiles: | CC1=C(C(C2=C(c3ccccc3OC2=O)O)c2ccc(c(c2)OC)OCc2ccccc2)C(N(c2ccccc2)N1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3334 |
| logD: | 1.4777 |
| logSw: | -4.6216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.815 |
| InChI Key: | HDZRPDDRTXYYIF-WJOKGBTCSA-N |