rel-(1R,2S,3aS)-1-benzoyl-2-(2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2S,3aS)-1-benzoyl-2-(2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2S,3aS)-1-benzoyl-2-(2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8002-0753 |
| Compound Name: | rel-(1R,2S,3aS)-1-benzoyl-2-(2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C28 H21 N3 O2 |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(c2ccccc2)=O)[C@@H](c2ccccc2OC)[C@]1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0207 |
| logD: | 4.8936 |
| logSw: | -4.7287 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.442 |
| InChI Key: | XKHXPBRDONDDNX-NXCFDTQHSA-N |