rel-(1R,2R,3aS)-2-(3-bromophenyl)-1-(4-methoxybenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-2-(3-bromophenyl)-1-(4-methoxybenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-2-(3-bromophenyl)-1-(4-methoxybenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8544 |
| Compound Name: | rel-(1R,2R,3aS)-2-(3-bromophenyl)-1-(4-methoxybenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 510.39 |
| Molecular Formula: | C28 H20 Br N3 O2 |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(c2ccc(cc2)OC)=O)[C@@H](c2cccc(c2)[Br])C1(C#N)C#N |
| Stereo: | RELATIVE |
| logP: | 5.823 |
| logD: | 5.6958 |
| logSw: | -5.6172 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.355 |
| InChI Key: | ZUVLWCQARMCGPA-NXCFDTQHSA-N |