rel-(3aR,6S,7R,7aS)-N~7~-(4-bromophenyl)-N~3~-cyclohexyl-2-[(3-methoxyphenyl)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~7~-(4-bromophenyl)-N~3~-cyclohexyl-2-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~7~-(4-bromophenyl)-N~3~-cyclohexyl-2-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4565 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(4-bromophenyl)-N~3~-cyclohexyl-2-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 594.51 |
| Molecular Formula: | C30 H32 Br N3 O5 |
| Smiles: | COc1cccc(CN2C(C(NC3CCCCC3)=O)[C@@]34C=C[C@@H]([C@H](C(Nc5ccc(cc5)[Br])=O)[C@@H]3C2=O)O4)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7316 |
| logD: | 4.6414 |
| logSw: | -4.6736 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.341 |
| InChI Key: | ZKLAMNGTAGUNSR-YJLXJHRQSA-N |