rel-(3aR,6S,7R,7aS)-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(3,5-dimethylphenyl)-2-[3-(dipropylamino)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~3~-(2,3-dimethylcyclohexyl)-N~7~-(3,5-dimethylphenyl)-2-[3-(dipropylamino)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(3,5-dimethylphenyl)-2-[3-(dipropylamino)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-3514 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(3,5-dimethylphenyl)-2-[3-(dipropylamino)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 592.82 |
| Molecular Formula: | C35 H52 N4 O4 |
| Smiles: | CCCN(CCC)CCCN1C(C(NC2CCCC(C)C2C)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4cc(C)cc(C)c4)=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8263 |
| logD: | 2.4223 |
| logSw: | -4.558 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.355 |
| InChI Key: | QCJPZFFQTNNDRH-RBRPLULMSA-N |