rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-fluorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[2-(dipropylamino)ethyl]-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-chloro-4-fluorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[2-(dipropylamino)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-fluorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[2-(dipropylamino)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
Compound ID: | C073-3729 |
Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-fluorophenyl)-N~3~-(2,3-dimethylcyclohexyl)-2-[2-(dipropylamino)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
Molecular Weight: | 603.18 |
Molecular Formula: | C32 H44 Cl F N4 O4 |
Smiles: | CCCN(CCC)CCN1C(C(NC2CCCC(C)C2C)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(c(c4)[Cl])F)=O)[C@@H]2C1=O)O3 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.7273 |
logD: | 4.7273 |
logSw: | -4.878 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.355 |
InChI Key: | IQOQYUOJYIWRIX-SOWXNILESA-N |