rel-(1R,2R,3aS)-7-chloro-1-(4-methylbenzoyl)-2-(naphthalen-1-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-7-chloro-1-(4-methylbenzoyl)-2-(naphthalen-1-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-7-chloro-1-(4-methylbenzoyl)-2-(naphthalen-1-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8003-4246 |
| Compound Name: | rel-(1R,2R,3aS)-7-chloro-1-(4-methylbenzoyl)-2-(naphthalen-1-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 500 |
| Molecular Formula: | C32 H22 Cl N3 O |
| Smiles: | [H][C@@]12C=Cc3cc(ccc3N2[C@H](C(c2ccc(C)cc2)=O)[C@@H](c2cccc3ccccc23)C1(C#N)C#N)[Cl] |
| Stereo: | RELATIVE |
| logP: | 7.2794 |
| logD: | 6.8464 |
| logSw: | -6.6832 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.54 |
| InChI Key: | RFLWNRPUTRWCQV-DTXPUJKBSA-N |