rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8601 |
| Compound Name: | rel-(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C25 H22 N4 O3 |
| Smiles: | [H][C@]12c3ccccc3C=CN2[C@@H](C(C(C)(C)C)=O)[C@H](c2ccc(cc2)[N+]([O-])=O)C1(C#N)C#N |
| Stereo: | RELATIVE |
| logP: | 4.3292 |
| logD: | 3.7536 |
| logSw: | -4.4001 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 83.438 |
| InChI Key: | MSPDTUAHYIXVPH-FSSWDIPSSA-N |