rel-(8R,8aS,11aR,11bR)-8-(4-fluorobenzoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Chemical Structure Depiction of
rel-(8R,8aS,11aR,11bR)-8-(4-fluorobenzoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
rel-(8R,8aS,11aR,11bR)-8-(4-fluorobenzoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Compound characteristics
| Compound ID: | 8016-6816 |
| Compound Name: | rel-(8R,8aS,11aR,11bR)-8-(4-fluorobenzoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione |
| Molecular Weight: | 362.36 |
| Molecular Formula: | C21 H15 F N2 O3 |
| Smiles: | [H][C@@]12C(NC([C@@]2([H])[C@]2([H])c3ccccc3C=CN2[C@H]1C(c1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5066 |
| logD: | 0.8995 |
| logSw: | -1.8262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.709 |
| InChI Key: | UCCBQWOMWSCBCI-BDXSIMOUSA-N |