rel-(3aR,6S,7R,7aS)-N~7~-(3-chlorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[3-(4-methylpiperidin-1-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-chlorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[3-(4-methylpiperidin-1-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-chlorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[3-(4-methylpiperidin-1-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: | C073-2928 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(3-chlorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[3-(4-methylpiperidin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 633.66 |
| Molecular Formula: | C33 H45 Cl N4 O4 |
| Salt: | HCl |
| Smiles: | CC1CCN(CCCN2C(C(NC3CCCC(C)C3C)=O)[C@@]34C=C[C@@H]([C@H](C(Nc5cccc(c5)[Cl])=O)[C@@H]3C2=O)O4)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4702 |
| logD: | 2.3633 |
| logSw: | -4.5075 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.148 |
| InChI Key: | ZMZCGIMDAQUDNB-NVTUMGHTSA-N |