1-[rel-(3aR,4S,9bS)-4-(2,3-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,4S,9bS)-4-(2,3-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one
1-[rel-(3aR,4S,9bS)-4-(2,3-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8011-5601 |
| Compound Name: | 1-[rel-(3aR,4S,9bS)-4-(2,3-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C22 H23 N O3 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1cccc(c1OC)OC)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2708 |
| logD: | 4.2708 |
| logSw: | -4.4763 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.496 |
| InChI Key: | PFQLKUOLASFGDB-CKJXQJPGSA-N |