4'-chloro-3-{(2E)-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methylidene]hydrazinecarbonyl}-6-methyl-1,2,3,4-tetrahydro[1,1'-biphenyl]-3-carboxylic acid
Chemical Structure Depiction of
4'-chloro-3-{(2E)-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methylidene]hydrazinecarbonyl}-6-methyl-1,2,3,4-tetrahydro[1,1'-biphenyl]-3-carboxylic acid
4'-chloro-3-{(2E)-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methylidene]hydrazinecarbonyl}-6-methyl-1,2,3,4-tetrahydro[1,1'-biphenyl]-3-carboxylic acid
Compound characteristics
| Compound ID: | 5690-0617 |
| Compound Name: | 4'-chloro-3-{(2E)-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methylidene]hydrazinecarbonyl}-6-methyl-1,2,3,4-tetrahydro[1,1'-biphenyl]-3-carboxylic acid |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C24 H27 Cl N2 O5 |
| Smiles: | CC1=CCC(CC1c1ccc(cc1)[Cl])(C(O)=O)C(N/N=C/C1=C(CC(C)(C)CC1=O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8937 |
| logD: | 1.3986 |
| logSw: | -4.5274 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.5 |
| InChI Key: | RMIBHHGRVDLZEG-UHFFFAOYSA-N |