rel-(3aR,4S,9bS)-6-bromo-8,9-dimethyl-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-6-bromo-8,9-dimethyl-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
rel-(3aR,4S,9bS)-6-bromo-8,9-dimethyl-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Compound characteristics
| Compound ID: | 6177-0398 |
| Compound Name: | rel-(3aR,4S,9bS)-6-bromo-8,9-dimethyl-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
| Molecular Weight: | 399.29 |
| Molecular Formula: | C20 H19 Br N2 O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2c(C)c(C)cc(c2N[C@H]1c1ccc(cc1)[N+]([O-])=O)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.8512 |
| logD: | 5.8512 |
| logSw: | -5.6312 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.451 |
| InChI Key: | BVJAADNFOQHJMJ-JTDSTZFVSA-N |