rel-(2R,3R)-2-(3,4-dichlorophenyl)-3-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Chemical Structure Depiction of
rel-(2R,3R)-2-(3,4-dichlorophenyl)-3-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
rel-(2R,3R)-2-(3,4-dichlorophenyl)-3-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1446 |
| Compound Name: | rel-(2R,3R)-2-(3,4-dichlorophenyl)-3-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile |
| Molecular Weight: | 528.48 |
| Molecular Formula: | C31 H27 Cl2 N3 O |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C([C@H]1[C@H](c2ccc(c(c2)[Cl])[Cl])C(C#N)(C#N)C2c3ccccc3C=CN12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.705 |
| logD: | 7.1294 |
| logSw: | -6.778 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.818 |
| InChI Key: | DTZLMLORPZAYTR-IGASMKCJSA-N |