rel-(2R,3R,10bS)-3-acetyl-2-(thiophen-2-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-3-acetyl-2-(thiophen-2-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-3-acetyl-2-(thiophen-2-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4423 |
| Compound Name: | rel-(2R,3R,10bS)-3-acetyl-2-(thiophen-2-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C20 H15 N3 O S |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(C)=O)[C@H](c2cccs2)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7635 |
| logD: | 2.6111 |
| logSw: | -2.9319 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 51.163 |
| InChI Key: | YMQWZJRTSSNWOJ-QRVBRYPASA-N |