rel-(3aR,6S,7R,7aS)-2-[2-(azepan-1-yl)ethyl]-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-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-(azepan-1-yl)ethyl]-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-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-(azepan-1-yl)ethyl]-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C073-5384 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-[2-(azepan-1-yl)ethyl]-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 601.19 |
| Molecular Formula: | C32 H44 N4 O5 |
| Salt: | HCl |
| Smiles: | CC1CCCCC1NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C(N1CCN1CCCCCC1)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9782 |
| logD: | 2.6688 |
| logSw: | -4.113 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.023 |
| InChI Key: | QZTSYROWFWSHQF-CPIJNKGCSA-N |