rel-(6aR,6bS,9aR,10S)-10-(4-fluorobenzoyl)-8-propyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Chemical Structure Depiction of
rel-(6aR,6bS,9aR,10S)-10-(4-fluorobenzoyl)-8-propyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
rel-(6aR,6bS,9aR,10S)-10-(4-fluorobenzoyl)-8-propyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Compound characteristics
| Compound ID: | 8015-6213 |
| Compound Name: | rel-(6aR,6bS,9aR,10S)-10-(4-fluorobenzoyl)-8-propyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C24 H21 F N2 O3 |
| Smiles: | [H][C@]12C(N(CCC)C([C@@]1([H])[C@@H](C(c1ccc(cc1)F)=O)N1c3ccccc3C=C[C@@]12[H])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1769 |
| logD: | 3.1769 |
| logSw: | -3.4237 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.473 |
| InChI Key: | NMMRVAGDAWQASM-BURNTYAHSA-N |