4-[(2,4-dichlorophenyl)(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-[(2,4-dichlorophenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-[(2,4-dichlorophenyl)(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: | C159-0007 |
Compound Name: | 4-[(2,4-dichlorophenyl)(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
Molecular Weight: | 507.37 |
Molecular Formula: | C27 H20 Cl2 N2 O4 |
Smiles: | CC1=C(C(C2=C(c3ccccc3OC2=O)O)c2ccc(cc2[Cl])[Cl])C(N(c2ccccc2)N1C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7984 |
logD: | 1.9427 |
logSw: | -4.6485 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.87 |
InChI Key: | OFJIDMVXAPYLCS-HSZRJFAPSA-N |