rel-(3aR,6S,7R,7aS)-2-[2-(dipropylamino)ethyl]-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-2-[2-(dipropylamino)ethyl]-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1)
rel-(3aR,6S,7R,7aS)-2-[2-(dipropylamino)ethyl]-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C073-5385 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-[2-(dipropylamino)ethyl]-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 603.2 |
| Molecular Formula: | C32 H46 N4 O5 |
| Salt: | HCl |
| Smiles: | CCCN(CCC)CCN1C(C(NC2CCCCC2C)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2895 |
| logD: | 2.7997 |
| logSw: | -4.2803 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.899 |
| InChI Key: | QANSSJMWHAQJEK-CPIJNKGCSA-N |