rel-(3aR,6S,7R,7aS)-2-[2-(4-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-2-[2-(4-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-2-[2-(4-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4041 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-[2-(4-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 564.08 |
| Molecular Formula: | C31 H34 Cl N3 O5 |
| Smiles: | COc1cccc(c1)NC([C@@H]1[C@@H]2C(N(CCc3ccc(cc3)[Cl])C(C(NC3CCCCC3)=O)[C@@]23C=C[C@@H]1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9725 |
| logD: | 4.9575 |
| logSw: | -5.1035 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.319 |
| InChI Key: | LWIVETLWGIGWNP-CNJXUDLYSA-N |