rel-(1R,2R,3aS)-7-chloro-1-(4-methoxybenzoyl)-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-7-chloro-1-(4-methoxybenzoyl)-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-7-chloro-1-(4-methoxybenzoyl)-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-4487 |
| Compound Name: | rel-(1R,2R,3aS)-7-chloro-1-(4-methoxybenzoyl)-2-phenyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 465.94 |
| Molecular Formula: | C28 H20 Cl N3 O2 |
| Smiles: | [H][C@@]12C=Cc3cc(ccc3N2[C@H](C(c2ccc(cc2)OC)=O)[C@@H](c2ccccc2)C1(C#N)C#N)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.7055 |
| logD: | 5.4424 |
| logSw: | -6.1416 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.355 |
| InChI Key: | NJDIJUPODAHABY-GSDHBNRESA-N |