3-benzoyl-2-(2,4-dichlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
3-benzoyl-2-(2,4-dichlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
3-benzoyl-2-(2,4-dichlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1316 |
| Compound Name: | 3-benzoyl-2-(2,4-dichlorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 470.36 |
| Molecular Formula: | C27 H17 Cl2 N3 O |
| Smiles: | C1=CN2C(C(c3ccc(cc3[Cl])[Cl])C(C#N)(C#N)C2c2ccccc12)C(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8802 |
| logD: | 5.0274 |
| logSw: | -6.1064 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.785 |
| InChI Key: | STVGAHHHOOXSQE-UHFFFAOYSA-N |