rel-(3aR,4S,9bS)-4-(3-bromo-4,5-dimethoxyphenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-4-(3-bromo-4,5-dimethoxyphenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
rel-(3aR,4S,9bS)-4-(3-bromo-4,5-dimethoxyphenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Compound characteristics
| Compound ID: | 5408-1990 |
| Compound Name: | rel-(3aR,4S,9bS)-4-(3-bromo-4,5-dimethoxyphenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
| Molecular Weight: | 431.28 |
| Molecular Formula: | C20 H19 Br N2 O4 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1cc(c(c(c1)[Br])OC)OC)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2273 |
| logD: | 5.2273 |
| logSw: | -5.1787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.05 |
| InChI Key: | QHCYDFLRIGCOKI-PJIJBLCYSA-N |