propan-2-yl rel-(6R,7R,7aS)-2-(3-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
propan-2-yl rel-(6R,7R,7aS)-2-(3-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
propan-2-yl rel-(6R,7R,7aS)-2-(3-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 6283-0035 |
| Compound Name: | propan-2-yl rel-(6R,7R,7aS)-2-(3-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 347.8 |
| Molecular Formula: | C18 H18 Cl N O4 |
| Smiles: | CC(C)OC([C@@H]1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)c1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2284 |
| logD: | 3.2283 |
| logSw: | -3.4754 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.534 |
| InChI Key: | MPGBRPAZRZFXGY-LLDVTBCESA-N |