rel-(6R,7aS)-2-{1-(4-chlorophenyl)-2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-N-(2-methoxy-5-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7aS)-2-{1-(4-chlorophenyl)-2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-N-(2-methoxy-5-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-2-{1-(4-chlorophenyl)-2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-N-(2-methoxy-5-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | K784-3834 |
| Compound Name: | rel-(6R,7aS)-2-{1-(4-chlorophenyl)-2-[(2-methylcyclohexyl)amino]-2-oxoethyl}-N-(2-methoxy-5-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 578.11 |
| Molecular Formula: | C32 H36 Cl N3 O5 |
| Smiles: | CC1CCCCC1NC(C(c1ccc(cc1)[Cl])N1C[C@@]23C=C[C@@H](C(C(Nc4cc(C)ccc4OC)=O)[C@H]2C1=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0051 |
| logD: | 5.0007 |
| logSw: | -5.2678 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.227 |
| InChI Key: | ULZJOZUCZBEJHR-BJDUUFEWSA-N |