rel-(1R,2S,3aS)-1-(4-methylbenzoyl)-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2S,3aS)-1-(4-methylbenzoyl)-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2S,3aS)-1-(4-methylbenzoyl)-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8002-0350 |
| Compound Name: | rel-(1R,2S,3aS)-1-(4-methylbenzoyl)-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C26 H19 N3 O S |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(c2ccc(C)cc2)=O)[C@@H](c2ccsc2)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.13 |
| logD: | 5.0514 |
| logSw: | -5.0541 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.83 |
| InChI Key: | FYSVTOIULMTRSN-VXNXHJTFSA-N |