rel-(3aR,4S,9bS)-4-(2,3-dimethoxyphenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-4-(2,3-dimethoxyphenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
rel-(3aR,4S,9bS)-4-(2,3-dimethoxyphenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Compound characteristics
| Compound ID: | 5408-0702 |
| Compound Name: | rel-(3aR,4S,9bS)-4-(2,3-dimethoxyphenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C20 H20 N2 O4 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1cccc(c1OC)OC)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5648 |
| logD: | 4.5648 |
| logSw: | -4.5742 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.05 |
| InChI Key: | MINPUORBXVLMAV-CKFHNAJUSA-N |