rel-(3aR,4S,9bS)-6-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-6-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
rel-(3aR,4S,9bS)-6-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid
Compound characteristics
| Compound ID: | 6177-0273 |
| Compound Name: | rel-(3aR,4S,9bS)-6-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-9-carboxylic acid |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C20 H18 N2 O4 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2c(ccc(C)c2N[C@H]1c1cccc(c1)[N+]([O-])=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.4556 |
| logD: | 2.0337 |
| logSw: | -4.3147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.859 |
| InChI Key: | RUYZIZCPPXHRAZ-SPYBWZPUSA-N |