rel-(1R,2S,3aS)-1-benzoyl-7-chloro-2-(2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2S,3aS)-1-benzoyl-7-chloro-2-(2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2S,3aS)-1-benzoyl-7-chloro-2-(2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8001-1560 |
| Compound Name: | rel-(1R,2S,3aS)-1-benzoyl-7-chloro-2-(2-methoxyphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 465.94 |
| Molecular Formula: | C28 H20 Cl N3 O2 |
| Smiles: | [H][C@@]12C=Cc3cc(ccc3N2[C@H](C(c2ccccc2)=O)[C@@H](c2ccccc2OC)C1(C#N)C#N)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.7506 |
| logD: | 5.4875 |
| logSw: | -5.9813 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.442 |
| InChI Key: | JPHLDGAIHDSNEY-GSDHBNRESA-N |