rel-(3aR,6S,7R,7aS)-2-{2-[butyl(methyl)amino]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-[butyl(methyl)amino]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-[butyl(methyl)amino]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: | C073-4094 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-{2-[butyl(methyl)amino]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: | 538.69 |
| Molecular Formula: | C30 H42 N4 O5 |
| Smiles: | CCCCN(C)CCN1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7161 |
| logD: | 2.4367 |
| logSw: | -3.9681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.663 |
| InChI Key: | QFSODAQBFXPYGB-YJLXJHRQSA-N |