rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-2-[3-(3-methylpiperidin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-2-[3-(3-methylpiperidin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-2-[3-(3-methylpiperidin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4030 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-2-[3-(3-methylpiperidin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 603.59 |
| Molecular Formula: | C31 H40 Cl2 N4 O4 |
| Smiles: | CC1CCCN(CCCN2C(C(NC3CCCCC3)=O)[C@@]34C=C[C@@H]([C@H](C(Nc5ccc(c(c5)[Cl])[Cl])=O)[C@@H]3C2=O)O4)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0951 |
| logD: | 5.0951 |
| logSw: | -5.4533 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.691 |
| InChI Key: | OPKIARUVKSAZPK-YPJPBKBOSA-N |