rel-(1R,2R,3aS)-7-chloro-2-(4-ethoxyphenyl)-1-(4-methylbenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-7-chloro-2-(4-ethoxyphenyl)-1-(4-methylbenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-7-chloro-2-(4-ethoxyphenyl)-1-(4-methylbenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8003-4241 |
| Compound Name: | rel-(1R,2R,3aS)-7-chloro-2-(4-ethoxyphenyl)-1-(4-methylbenzoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 493.99 |
| Molecular Formula: | C30 H24 Cl N3 O2 |
| Smiles: | [H][C@@]12C=Cc3cc(ccc3N2[C@H](C(c2ccc(C)cc2)=O)[C@@H](c2ccc(cc2)OCC)C1(C#N)C#N)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.5112 |
| logD: | 6.2481 |
| logSw: | -6.4183 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.935 |
| InChI Key: | HFFBDLBSFOQJKW-KCHLEUMXSA-N |