rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4648 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 544.09 |
| Molecular Formula: | C29 H38 Cl N3 O5 |
| Smiles: | CC(C)OCCCN1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(C)c(c4)[Cl])=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5059 |
| logD: | 4.3696 |
| logSw: | -4.5269 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.248 |
| InChI Key: | GSKJDHDGAVUNOA-XXVWYLNPSA-N |