rel-(1R,2R,3aS)-2-(3,4-dichlorophenyl)-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-2-(3,4-dichlorophenyl)-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-2-(3,4-dichlorophenyl)-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1438 |
| Compound Name: | rel-(1R,2R,3aS)-2-(3,4-dichlorophenyl)-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 528.48 |
| Molecular Formula: | C31 H27 Cl2 N3 O |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(C23CC4CC(CC(C4)C3)C2)=O)[C@@H](c2ccc(c(c2)[Cl])[Cl])C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 8.1405 |
| logD: | 8.0964 |
| logSw: | -6.815 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.845 |
| InChI Key: | LXZXHMCNMUUBHI-MWGIVGCISA-N |