ethyl rel-(3aR,4S,9bS)-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Chemical Structure Depiction of
ethyl rel-(3aR,4S,9bS)-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
ethyl rel-(3aR,4S,9bS)-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Compound characteristics
| Compound ID: | 5408-0786 |
| Compound Name: | ethyl rel-(3aR,4S,9bS)-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1ccc(c(c1)[N+]([O-])=O)OC)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.997 |
| logD: | 4.997 |
| logSw: | -4.7424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.786 |
| InChI Key: | IKLGKAYKRLAFHQ-WHSLLNHNSA-N |