rel-(8R,8aS,11aR,11bR)-8-(4-fluorobenzoyl)-10-propyl-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)-10-propyl-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)-10-propyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Compound characteristics
| Compound ID: | 8015-6215 |
| Compound Name: | rel-(8R,8aS,11aR,11bR)-8-(4-fluorobenzoyl)-10-propyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C24 H21 F N2 O3 |
| Smiles: | [H][C@@]12C(N(CCC)C([C@@]2([H])[C@@H](C(c2ccc(cc2)F)=O)N2C=Cc3ccccc3[C@]12[H])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4413 |
| logD: | 2.4413 |
| logSw: | -2.7058 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.447 |
| InChI Key: | ASZXKWKTNGQMTE-CGXNFDGLSA-N |