rel-(3aR,4S,9bS)-8-bromo-4-(2-chloro-5-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-8-bromo-4-(2-chloro-5-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
rel-(3aR,4S,9bS)-8-bromo-4-(2-chloro-5-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Compound characteristics
| Compound ID: | 8017-4172 |
| Compound Name: | rel-(3aR,4S,9bS)-8-bromo-4-(2-chloro-5-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline |
| Molecular Weight: | 405.68 |
| Molecular Formula: | C18 H14 Br Cl N2 O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1cc(ccc1[Cl])[N+]([O-])=O)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.1092 |
| logD: | 6.1092 |
| logSw: | -6.385 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.703 |
| InChI Key: | WCRNQNSYYFNUAI-ZJNRKIDTSA-N |