rel-(6R,7R,7aS)-N-(3-fluorophenyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7R,7aS)-N-(3-fluorophenyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-N-(3-fluorophenyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C428-0029 |
| Compound Name: | rel-(6R,7R,7aS)-N-(3-fluorophenyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 415.46 |
| Molecular Formula: | C22 H26 F N3 O4 |
| Smiles: | C(CN1CCOCC1)CN1C[C@]23C=C[C@H]([C@H](C(Nc4cccc(c4)F)=O)[C@@H]2C1=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3154 |
| logD: | 1.05 |
| logSw: | -2.1003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.508 |
| InChI Key: | CGFKRZDZUVVJJG-MOXWOTFGSA-N |