rel-(1R,2R,3aS)-7-bromo-1-(4-methoxybenzoyl)-2-(3-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-7-bromo-1-(4-methoxybenzoyl)-2-(3-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-7-bromo-1-(4-methoxybenzoyl)-2-(3-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 6049-1023 |
| Compound Name: | rel-(1R,2R,3aS)-7-bromo-1-(4-methoxybenzoyl)-2-(3-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 540.42 |
| Molecular Formula: | C29 H22 Br N3 O3 |
| Smiles: | [H][C@@]12C=Cc3cc(ccc3N2[C@H](C(c2ccc(cc2)OC)=O)[C@@H](c2cccc(c2)OC)C1(C#N)C#N)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.8543 |
| logD: | 5.5912 |
| logSw: | -5.5937 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.899 |
| InChI Key: | LLGXBIAYHQILED-QKDODKLFSA-N |