rel-(6R,7R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | C428-0022 |
| Compound Name: | rel-(6R,7R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C16 H22 N2 O5 |
| Smiles: | C(CN1CCOCC1)CN1C[C@]23C=C[C@H]([C@H](C(O)=O)[C@@H]2C1=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3892 |
| logD: | -2.6106 |
| logSw: | -0.1812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.825 |
| InChI Key: | UUKNQAYEDYLCKR-IATRGZMQSA-N |