rel-(3aR,4S,9bS)-6-ethoxy-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-6-ethoxy-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
rel-(3aR,4S,9bS)-6-ethoxy-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Compound characteristics
| Compound ID: | 5408-0904 |
| Compound Name: | rel-(3aR,4S,9bS)-6-ethoxy-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C21 H22 N2 O4 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cccc(c2N[C@H]1c1ccc(c(c1)[N+]([O-])=O)OC)OCC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2143 |
| logD: | 4.2143 |
| logSw: | -4.4722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.991 |
| InChI Key: | MGMWGGWTLFZCCQ-STXHMFSFSA-N |