2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione
2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
Compound ID: | 4476-4501 |
Compound Name: | 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione |
Molecular Weight: | 404.9 |
Molecular Formula: | C24 H21 Cl N2 O2 |
Smiles: | CC1(C)CC(C(=Cc2cn(c3ccccc3)nc2c2ccc(cc2)[Cl])C(C1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.9134 |
logD: | 4.9134 |
logSw: | -5.123 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.287 |
InChI Key: | CCVYYARDAZOYCG-UHFFFAOYSA-N |