rel-(3aR,4S,9bS)-N-(4-ethoxyphenyl)-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Chemical Structure Depiction of
rel-(3aR,4S,9bS)-N-(4-ethoxyphenyl)-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
rel-(3aR,4S,9bS)-N-(4-ethoxyphenyl)-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Compound characteristics
| Compound ID: | 5408-1057 |
| Compound Name: | rel-(3aR,4S,9bS)-N-(4-ethoxyphenyl)-4-(4-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | [H][C@@]12C=CC[C@@]2([H])[C@@H](c2ccc(cc2)[N+]([O-])=O)Nc2ccc(cc12)S(Nc1ccc(cc1)OCC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.8601 |
| logD: | 5.8553 |
| logSw: | -5.5734 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.476 |
| InChI Key: | HRNHLSMYFXVRRX-PPJWLVRDSA-N |