methyl 4-[rel-(3aR,4S,9bS)-6,8-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[rel-(3aR,4S,9bS)-6,8-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
methyl 4-[rel-(3aR,4S,9bS)-6,8-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Compound characteristics
| Compound ID: | 8015-2987 |
| Compound Name: | methyl 4-[rel-(3aR,4S,9bS)-6,8-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate |
| Molecular Weight: | 374.26 |
| Molecular Formula: | C20 H17 Cl2 N O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(cc(c2N[C@H]1c1ccc(cc1)C(=O)OC)[Cl])[Cl] |
| Stereo: | RELATIVE |
| logP: | 5.641 |
| logD: | 5.641 |
| logSw: | -6.0962 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.2432 |
| InChI Key: | UWZOPSMBFFMFKH-RVKKMQEKSA-N |