rel-(3aR,7aS)-2-{1-[4-(1H-pyrrol-1-yl)phenyl]ethyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{1-[4-(1H-pyrrol-1-yl)phenyl]ethyl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{1-[4-(1H-pyrrol-1-yl)phenyl]ethyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y503-1575 |
| Compound Name: | rel-(3aR,7aS)-2-{1-[4-(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)c2ccc(cc2)n2cccc2)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4866 |
| logD: | 3.4866 |
| logSw: | -3.5773 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.01 |
| InChI Key: | ZAHJMIQFVVBMOU-UNWPMLMHSA-N |