rel-(3aR,7aS)-2-{1-[4-(butan-2-yl)phenyl]propyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{1-[4-(butan-2-yl)phenyl]propyl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{1-[4-(butan-2-yl)phenyl]propyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | Y503-4151 |
Compound Name: | rel-(3aR,7aS)-2-{1-[4-(butan-2-yl)phenyl]propyl}hexahydro-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 327.47 |
Molecular Formula: | C21 H29 N O2 |
Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C(CC)c2ccc(cc2)C(C)CC)C1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.1097 |
logD: | 5.1097 |
logSw: | -4.926 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 28.6088 |
InChI Key: | WKKACERQTVEMHY-MJGSYPLASA-N |