methyl 4-[rel-(3aR,4S,9bS)-8-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[rel-(3aR,4S,9bS)-8-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
methyl 4-[rel-(3aR,4S,9bS)-8-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Compound characteristics
| Compound ID: | 6177-0281 |
| Compound Name: | methyl 4-[rel-(3aR,4S,9bS)-8-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C21 H21 N O3 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1ccc(cc1)C(=O)OC)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8589 |
| logD: | 4.8589 |
| logSw: | -4.7173 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.039 |
| InChI Key: | GADQDIUUTSVNQA-MBOZVWFJSA-N |