ethyl 4-{1-(4-ethylanilino)-5-[(4-ethylphenyl)carbamoyl]-3-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{1-(4-ethylanilino)-5-[(4-ethylphenyl)carbamoyl]-3-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate
ethyl 4-{1-(4-ethylanilino)-5-[(4-ethylphenyl)carbamoyl]-3-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C561-0441 |
| Compound Name: | ethyl 4-{1-(4-ethylanilino)-5-[(4-ethylphenyl)carbamoyl]-3-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate |
| Molecular Weight: | 554.69 |
| Molecular Formula: | C33 H38 N4 O4 |
| Smiles: | CCc1ccc(cc1)NC1c2ccc(cc2C(N1C1CCN(CC1)C(=O)OCC)=O)C(Nc1ccc(CC)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0453 |
| logD: | 7.0444 |
| logSw: | -5.6615 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.095 |
| InChI Key: | LHDFYIBXEUYBQS-PMERELPUSA-N |