rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-methylphenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[3-(morpholin-4-yl)propyl]-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)-N~7~-(3-chloro-4-methylphenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1 )
rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-methylphenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1 )
Compound characteristics
| Compound ID: | C073-3333 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-methylphenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1 ) |
| Molecular Weight: | 635.63 |
| Molecular Formula: | C32 H43 Cl N4 O5 |
| Salt: | HCl |
| Smiles: | CC1CCCC(C1C)NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(C)c(c4)[Cl])=O)[C@@H]2C(N1CCCN1CCOCC1)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6093 |
| logD: | 3.2588 |
| logSw: | -3.8348 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.056 |
| InChI Key: | QQUUFEFCHOAQKI-ODKCEXNWSA-N |