rel-(1R,2R,3aS)-1-(4-methoxybenzoyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-1-(4-methoxybenzoyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-1-(4-methoxybenzoyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8543 |
| Compound Name: | rel-(1R,2R,3aS)-1-(4-methoxybenzoyl)-2-(4-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C29 H23 N3 O3 |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(c2ccc(cc2)OC)=O)[C@@H](c2ccc(cc2)OC)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.9537 |
| logD: | 4.8266 |
| logSw: | -4.642 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.899 |
| InChI Key: | SGTCURCKMFXAGO-VJGNERBWSA-N |