rel-(3aR,6S,7R,7aS)-2-{3-[butyl(methyl)amino]propyl}-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(4-methoxyphenyl)-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-{3-[butyl(methyl)amino]propyl}-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(4-methoxyphenyl)-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-{3-[butyl(methyl)amino]propyl}-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C073-2877 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-{3-[butyl(methyl)amino]propyl}-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 617.23 |
| Molecular Formula: | C33 H48 N4 O5 |
| Salt: | HCl |
| Smiles: | CCCCN(C)CCCN1C(C(NC2CCCC(C)C2C)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(cc4)OC)=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7004 |
| logD: | 1.5149 |
| logSw: | -4.0579 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.053 |
| InChI Key: | ADRCYVWWXJILOS-NVTUMGHTSA-N |