rel-(6R,7R,7aS)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7R,7aS)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | K784-6115 |
| Compound Name: | rel-(6R,7R,7aS)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 422.91 |
| Molecular Formula: | C24 H23 Cl N2 O3 |
| Smiles: | Cc1ccc(CN2C[C@@]34C=C[C@@H]([C@@H](C(NCc5ccc(cc5)[Cl])=O)[C@H]3C2=O)O4)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.163 |
| logD: | 3.1628 |
| logSw: | -3.6145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.961 |
| InChI Key: | JKUMRPBGEWOCEP-WHLIWEHUSA-N |