methyl 4-[rel-(3aR,4S,9bS)-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[rel-(3aR,4S,9bS)-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
methyl 4-[rel-(3aR,4S,9bS)-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
Compound characteristics
| Compound ID: | 6177-0348 |
| Compound Name: | methyl 4-[rel-(3aR,4S,9bS)-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C20 H18 N2 O4 |
| Smiles: | [H][C@@]12CC=C[C@@]2([H])c2cccc(c2N[C@H]1c1ccc(cc1)C(=O)OC)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3003 |
| logD: | 4.3003 |
| logSw: | -4.5375 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.324 |
| InChI Key: | BPFVOBJEVYUKKP-RVKKMQEKSA-N |