ethyl 4-[rel-(6R,7aS)-7-[(3-fluoro-4-methylphenyl)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-[(3-fluoro-4-methylphenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate
ethyl 4-[rel-(6R,7aS)-7-[(3-fluoro-4-methylphenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C428-0042 |
| Compound Name: | ethyl 4-[rel-(6R,7aS)-7-[(3-fluoro-4-methylphenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]piperidine-1-carboxylate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C24 H28 F N3 O5 |
| Smiles: | CCOC(N1CCC(CC1)N1C[C@]23C=C[C@H](C(C(Nc4ccc(C)c(c4)F)=O)[C@@H]2C1=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1231 |
| logD: | 3.0993 |
| logSw: | -3.1518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.806 |
| InChI Key: | ZZLYMEADZDXWGI-XRQQCSKBSA-N |