rel-(3aR,6S,7R,7aS)-2-{2-[butyl(methyl)amino]ethyl}-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-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-chloro-4-methylphenyl)-N~3~-cyclohexyl-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-chloro-4-methylphenyl)-N~3~-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C073-4670 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-{2-[butyl(methyl)amino]ethyl}-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 593.59 |
| Molecular Formula: | C30 H41 Cl N4 O4 |
| Salt: | HCl |
| Smiles: | CCCCN(C)CCN1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(C)c(c4)[Cl])=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0399 |
| logD: | 3.7605 |
| logSw: | -5.2327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.119 |
| InChI Key: | KJIWUTLTGIXZBN-YJLXJHRQSA-N |