ethyl 4-[rel-(6R,7aS)-7-[(4-ethoxyphenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[rel-(6R,7aS)-7-[(4-ethoxyphenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate
ethyl 4-[rel-(6R,7aS)-7-[(4-ethoxyphenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C428-0031 |
| Compound Name: | ethyl 4-[rel-(6R,7aS)-7-[(4-ethoxyphenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C25 H31 N3 O6 |
| Smiles: | CCOC(N1CCC(CC1)N1C[C@@]23C=C[C@@H](C(C(Nc4ccc(cc4)OCC)=O)[C@H]2C1=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8423 |
| logD: | 2.8418 |
| logSw: | -3.3976 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.93 |
| InChI Key: | RDEGGAFXQVIETE-OGJABICPSA-N |