1-[rel-(3aR,4S,9bS)-4-(5-bromo-2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,4S,9bS)-4-(5-bromo-2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one
1-[rel-(3aR,4S,9bS)-4-(5-bromo-2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5408-0957 |
| Compound Name: | 1-[rel-(3aR,4S,9bS)-4-(5-bromo-2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one |
| Molecular Weight: | 398.3 |
| Molecular Formula: | C21 H20 Br N O2 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cc(ccc2N[C@H]1c1cc(ccc1OC)[Br])C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3194 |
| logD: | 5.3194 |
| logSw: | -5.3847 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.779 |
| InChI Key: | FGWJVUVUPVNYQO-ZOCZFRKYSA-N |