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 |