rel-(2R,3S,10bR)-3-(thiophene-2-carbonyl)-2-(thiophen-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3S,10bR)-3-(thiophene-2-carbonyl)-2-(thiophen-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3S,10bR)-3-(thiophene-2-carbonyl)-2-(thiophen-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4404 |
| Compound Name: | rel-(2R,3S,10bR)-3-(thiophene-2-carbonyl)-2-(thiophen-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C23 H15 N3 O S2 |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(c2cccs2)=O)[C@H](c2ccsc2)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2078 |
| logD: | 3.7841 |
| logSw: | -4.408 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 51.821 |
| InChI Key: | MANGFGHGCHDVHO-VWPQPMDRSA-N |