diethyl 2-(4-acetamidophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
diethyl 2-(4-acetamidophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
diethyl 2-(4-acetamidophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K908-0023 |
| Compound Name: | diethyl 2-(4-acetamidophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C21 H27 N O7 |
| Smiles: | CCOC(C1C(C(C(=O)OCC)C(C)(CC1=O)O)c1ccc(cc1)NC(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5265 |
| logD: | 1.5075 |
| logSw: | -1.9073 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.501 |
| InChI Key: | SWCVXGVAEYQOLS-UHFFFAOYSA-N |