rel-(3aR,7aS)-2-{1-[3-(1H-pyrrol-1-yl)phenyl]ethyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{1-[3-(1H-pyrrol-1-yl)phenyl]ethyl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{1-[3-(1H-pyrrol-1-yl)phenyl]ethyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-9376 |
| Compound Name: | rel-(3aR,7aS)-2-{1-[3-(1H-pyrrol-1-yl)phenyl]ethyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C20 H22 N2 O2 |
| Smiles: | [H][C@@]12CCCC[C@@]2([H])C(N(C(C)c2cccc(c2)n2cccc2)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3496 |
| logD: | 3.3496 |
| logSw: | -3.4861 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.01 |
| InChI Key: | OWWHQQGTQBLTHI-UNWPMLMHSA-N |