rel-(3aR,6S,7R,7aS)-2-{2-[butyl(methyl)amino]ethyl}-N~7~-(3-chlorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-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-[butyl(methyl)amino]ethyl}-N~7~-(3-chlorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-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-[butyl(methyl)amino]ethyl}-N~7~-(3-chlorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C073-2942 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-{2-[butyl(methyl)amino]ethyl}-N~7~-(3-chlorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 607.62 |
| Molecular Formula: | C31 H43 Cl N4 O4 |
| Salt: | HCl |
| Smiles: | CCCCN(C)CCN1C(C(NC2CCCC(C)C2C)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)[Cl])=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3956 |
| logD: | 3.1163 |
| logSw: | -4.4191 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.509 |
| InChI Key: | QQOSCEBXZGFPQD-DHWVIJTRSA-N |