ethyl 4-{7-[(2-ethyl-6-methylphenyl)carbamoyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{7-[(2-ethyl-6-methylphenyl)carbamoyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate
ethyl 4-{7-[(2-ethyl-6-methylphenyl)carbamoyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C447-1488 |
| Compound Name: | ethyl 4-{7-[(2-ethyl-6-methylphenyl)carbamoyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-1-carboxylate |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | CCc1cccc(C)c1NC(c1cccc2CN(C3CCN(CC3)C(=O)OCC)C(c12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.074 |
| logD: | 4.0739 |
| logSw: | -4.1252 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.748 |
| InChI Key: | XBCWZOHNTXJLEY-UHFFFAOYSA-N |