rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,5-dichlorophenyl)-2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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~-(3,5-dichlorophenyl)-2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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~-(3,5-dichlorophenyl)-2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-3934 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,5-dichlorophenyl)-2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 612.51 |
| Molecular Formula: | C31 H31 Cl2 N3 O6 |
| Smiles: | C1CCC(CC1)NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cc(cc(c4)[Cl])[Cl])=O)[C@@H]2C(N1CC1COc2ccccc2O1)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3438 |
| logD: | 3.9994 |
| logSw: | -6.0387 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.476 |
| InChI Key: | GOLQWDLUZUDESK-RSZGZENUSA-N |