rel-(1R,2R,3aS)-2-(3-bromophenyl)-3,3-dicyano-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-1-carboxamide
Chemical Structure Depiction of
rel-(1R,2R,3aS)-2-(3-bromophenyl)-3,3-dicyano-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-1-carboxamide
rel-(1R,2R,3aS)-2-(3-bromophenyl)-3,3-dicyano-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-1-carboxamide
Compound characteristics
| Compound ID: | 8005-2622 |
| Compound Name: | rel-(1R,2R,3aS)-2-(3-bromophenyl)-3,3-dicyano-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-1-carboxamide |
| Molecular Weight: | 419.28 |
| Molecular Formula: | C21 H15 Br N4 O |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(N)=O)[C@@H](c2cccc(c2)[Br])C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3585 |
| logD: | 3.3581 |
| logSw: | -3.7482 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.403 |
| InChI Key: | ONKLKMAHUHTLLM-OTWHNJEPSA-N |