rel-(1R,2R,3aS)-1-(4-methoxybenzoyl)-2-(thiophen-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-1-(4-methoxybenzoyl)-2-(thiophen-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-1-(4-methoxybenzoyl)-2-(thiophen-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8006-8542 |
| Compound Name: | rel-(1R,2R,3aS)-1-(4-methoxybenzoyl)-2-(thiophen-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C26 H19 N3 O2 S |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(c2ccc(cc2)OC)=O)[C@@H](c2cccs2)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6009 |
| logD: | 4.5085 |
| logSw: | -4.3836 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.374 |
| InChI Key: | HBTABMLBZYAMMQ-VXNXHJTFSA-N |