rel-(3aR,6S,7R,7aS)-N~7~-(4-chlorophenyl)-N~3~-cyclohexyl-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~7~-(4-chlorophenyl)-N~3~-cyclohexyl-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~7~-(4-chlorophenyl)-N~3~-cyclohexyl-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4269 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(4-chlorophenyl)-N~3~-cyclohexyl-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 557.09 |
| Molecular Formula: | C29 H37 Cl N4 O5 |
| Smiles: | C1CCC(CC1)NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(cc4)[Cl])=O)[C@@H]2C(N1CCCN1CCOCC1)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8214 |
| logD: | 2.517 |
| logSw: | -3.76 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.666 |
| InChI Key: | OEAPXQJPUCJWEB-XXVWYLNPSA-N |