rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8007-0172 |
| Compound Name: | rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C28 H29 N3 O4 |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(C(C)(C)C)=O)[C@H](c2cc(c(c(c2)OC)OC)OC)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0711 |
| logD: | 3.4956 |
| logSw: | -4.2102 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.034 |
| InChI Key: | NJKVAFLMZSCYOK-CUYJMHBOSA-N |