rel-(6R,7aS)-N-(4-ethoxyphenyl)-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,7aS)-N-(4-ethoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-N-(4-ethoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C428-0030 |
| Compound Name: | rel-(6R,7aS)-N-(4-ethoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C24 H31 N3 O5 |
| Smiles: | CCOc1ccc(cc1)NC(C1[C@@H]2C=C[C@@]3(CN(CCCN4CCOCC4)C([C@H]13)=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5309 |
| logD: | 1.2832 |
| logSw: | -2.2953 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.632 |
| InChI Key: | KMYDBAJCTLKJIT-XGQPODGHSA-N |