rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-1-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-1-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-1-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C123-0442 |
| Compound Name: | rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-1-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 418.92 |
| Molecular Formula: | C22 H27 Cl N2 O4 |
| Smiles: | CC(C)OCCCNC(C1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4[Cl])C([C@H]13)=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.321 |
| logD: | 2.321 |
| logSw: | -3.1031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.275 |
| InChI Key: | MDZSLKZYWBEWJV-JTOBOTFSSA-N |