1-[rel-(3aR,4S,9bS)-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,4S,9bS)-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one
1-[rel-(3aR,4S,9bS)-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5408-0912 |
| Compound Name: | 1-[rel-(3aR,4S,9bS)-4-(4-methoxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C21 H20 N2 O4 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1ccc(c(c1)[N+]([O-])=O)OC)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9559 |
| logD: | 3.9559 |
| logSw: | -4.2071 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.859 |
| InChI Key: | FMQCSUOOUCKXTD-WHSLLNHNSA-N |