rel-(3aR,4S,9bS)-8-bromo-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-8-bromo-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
rel-(3aR,4S,9bS)-8-bromo-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Compound characteristics
| Compound ID: | 5408-0803 |
| Compound Name: | rel-(3aR,4S,9bS)-8-bromo-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
| Molecular Weight: | 401.26 |
| Molecular Formula: | C19 H17 Br N2 O3 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1ccc(c(c1)[N+]([O-])=O)OC)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0242 |
| logD: | 5.0242 |
| logSw: | -4.8173 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.032 |
| InChI Key: | KVGKTBJNHOCAGT-NJSLBKSFSA-N |