rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
Compound ID: | C073-5349 |
Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-2-[3-(morpholin-4-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
Molecular Weight: | 566.7 |
Molecular Formula: | C31 H42 N4 O6 |
Smiles: | CC1CCCCC1NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C(N1CCCN1CCOCC1)=O)O3)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.5115 |
logD: | 2.2823 |
logSw: | -2.8496 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 91.6 |
InChI Key: | LRNBJBIMPKJWFP-SEKUATBWSA-N |